 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer02_B3LYPDBJ-def2SVPDr.in
 Output=30_ibuprofen_conformer02_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            ****
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/30_ibuprofen/Gau-3662.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/30_ibuprofen/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      3664.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer02_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Sep 27 09:40:13 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer02_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.868055000000     -1.025183000000      0.932371000000
  C                                                -1.434107000000     -0.545371000000     -0.248073000000
  C                                                 0.458923000000     -0.767507000000      1.247518000000
  C                                                 1.261147000000     -0.015622000000      0.393477000000
  C                                                 0.704012000000      0.460918000000     -0.791509000000
  C                                                -0.622388000000      0.197168000000     -1.104326000000
  C                                                -2.884143000000     -0.797677000000     -0.560930000000
  C                                                -3.859347000000      0.079867000000      0.248474000000
  C                                                -5.302322000000     -0.340915000000     -0.025297000000
  C                                                -3.656246000000      1.566161000000     -0.039220000000
  C                                                 2.704700000000      0.290879000000      0.757917000000
  C                                                 3.609551000000     -0.230826000000     -0.341871000000
  O                                                 4.016576000000      0.405594000000     -1.279125000000
  O                                                 3.899108000000     -1.541087000000     -0.173315000000
  H                                                -1.472172000000     -1.614332000000      1.612565000000
  H                                                 0.878164000000     -1.158470000000      2.166794000000
  H                                                 1.314336000000      1.031987000000     -1.479725000000
  H                                                -1.035819000000      0.574991000000     -2.031681000000
  H                                                -3.119764000000     -1.847600000000     -0.364999000000
  H                                                -3.064334000000     -0.629403000000     -1.626821000000
  H                                                -3.648628000000     -0.091406000000      1.310090000000
  H                                                -5.462258000000     -1.394737000000      0.212636000000
  H                                                -5.554412000000     -0.194814000000     -1.079386000000
  H                                                -6.003960000000      0.248931000000      0.567812000000
  H                                                -4.340507000000      2.174366000000      0.555493000000
  H                                                -3.848256000000      1.784180000000     -1.093903000000
  H                                                -2.638064000000      1.883648000000      0.187153000000
  H                                                 2.943576000000     -0.269791000000      1.662471000000
  C                                                 2.939441000000      1.783706000000      0.996225000000
  H                                                 4.431862000000     -1.814062000000     -0.936873000000
  H                                                 2.272779000000      2.139344000000      1.781775000000
  H                                                 2.744635000000      2.353840000000      0.089526000000
  H                                                 3.970359000000      1.973688000000      1.298054000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Sep 27 09:40:13 2021, MaxMem=  6442450944 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.868055   -1.025183    0.932371
      2          6           0       -1.434107   -0.545371   -0.248073
      3          6           0        0.458923   -0.767507    1.247518
      4          6           0        1.261147   -0.015622    0.393477
      5          6           0        0.704012    0.460918   -0.791509
      6          6           0       -0.622388    0.197168   -1.104326
      7          6           0       -2.884143   -0.797677   -0.560930
      8          6           0       -3.859347    0.079867    0.248474
      9          6           0       -5.302322   -0.340915   -0.025297
     10          6           0       -3.656246    1.566161   -0.039220
     11          6           0        2.704700    0.290879    0.757917
     12          6           0        3.609551   -0.230826   -0.341871
     13          8           0        4.016576    0.405594   -1.279125
     14          8           0        3.899108   -1.541087   -0.173315
     15          1           0       -1.472172   -1.614332    1.612565
     16          1           0        0.878164   -1.158470    2.166794
     17          1           0        1.314336    1.031987   -1.479725
     18          1           0       -1.035819    0.574991   -2.031681
     19          1           0       -3.119764   -1.847600   -0.364999
     20          1           0       -3.064334   -0.629403   -1.626821
     21          1           0       -3.648628   -0.091406    1.310090
     22          1           0       -5.462258   -1.394737    0.212636
     23          1           0       -5.554412   -0.194814   -1.079386
     24          1           0       -6.003960    0.248931    0.567812
     25          1           0       -4.340507    2.174366    0.555493
     26          1           0       -3.848256    1.784180   -1.093903
     27          1           0       -2.638064    1.883648    0.187153
     28          1           0        2.943576   -0.269791    1.662471
     29          6           0        2.939441    1.783706    0.996225
     30          1           0        4.431862   -1.814062   -0.936873
     31          1           0        2.272779    2.139344    1.781775
     32          1           0        2.744635    2.353840    0.089526
     33          1           0        3.970359    1.973688    1.298054
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.394304   0.000000
     3  C    1.388015   2.422746   0.000000
     4  C    2.417255   2.820747   1.392221   0.000000
     5  C    2.766162   2.424767   2.393058   1.393442   0.000000
     6  C    2.388018   1.394066   2.762427   2.415864   1.388076
     7  C    2.519190   1.504707   3.800985   4.325035   3.809473
     8  C    3.261392   2.553286   4.512603   5.123437   4.695850
     9  C    4.587818   3.880015   5.915571   6.584855   6.107869
    10  C    3.928494   3.072473   4.902685   5.183630   4.560631
    11  C    3.811434   4.340628   2.530495   1.520067   2.536215
    12  C    4.722674   5.054327   3.569403   2.470233   3.020404
    13  O    5.549546   5.628263   4.518516   3.250755   3.348718
    14  O    4.920827   5.425884   3.801587   3.099538   3.820841
    15  H    1.083844   2.146183   2.139977   3.393093   3.849937
    16  H    2.142626   3.399128   1.083367   2.144162   3.377026
    17  H    3.848764   3.399848   3.377538   2.146905   1.082708
    18  H    3.372581   2.143619   3.845738   3.392089   2.139638
    19  H    2.725753   2.133287   4.071095   4.808722   4.486918
    20  H    3.395548   2.136738   4.549092   4.813327   4.010857
    21  H    2.957397   2.745553   4.163292   4.995179   4.864900
    22  H    4.664900   4.142424   6.043574   6.865773   6.517258
    23  H    5.167071   4.217924   6.473226   6.975190   6.299264
    24  H    5.304130   4.709580   6.577538   7.272012   6.847597
    25  H    4.736779   4.060769   5.671688   6.016712   5.495224
    26  H    4.569453   3.459820   5.526767   5.617614   4.750327
    27  H    3.485625   2.745736   4.212401   4.342078   3.761836
    28  H    3.953757   4.784374   2.567763   2.122620   3.401706
    29  C    4.731909   5.108894   3.567185   2.533290   3.153237
    30  H    5.674991   6.040995   4.653073   3.880419   4.369614
    31  H    4.538784   5.006893   3.467750   2.755839   3.449628
    32  H    5.017939   5.097184   4.038345   2.812023   2.919507
    33  H    5.704139   6.159904   4.454984   3.480725   4.162183
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.529927   0.000000
     8  C    3.510232   1.541506   0.000000
     9  C    4.832765   2.518556   1.527804   0.000000
    10  C    3.494694   2.540877   1.527445   2.519266   0.000000
    11  C    3.813954   5.844611   6.587167   8.070006   6.536314
    12  C    4.321322   6.522068   7.498632   8.918174   7.490832
    13  O    4.646933   7.041561   8.029310   9.432456   7.858529
    14  O    4.932772   6.834866   7.937192   9.280552   8.170456
    15  H    3.374191   2.717475   3.229498   4.355942   4.196917
    16  H    3.845730   4.661073   5.259034   6.608484   5.731578
    17  H    2.142136   4.671090   5.537165   6.912336   5.202603
    18  H    1.083357   2.731964   3.662863   4.802865   3.437871
    19  H    3.311279   1.093730   2.153709   2.673772   3.470981
    20  H    2.630460   1.094033   2.156813   2.767073   2.773326
    21  H    3.882114   2.141021   1.095794   2.140144   2.137340
    22  H    5.262404   2.757093   2.178317   1.092123   3.477359
    23  H    4.947639   2.786140   2.170693   1.093617   2.790343
    24  H    5.635605   3.478894   2.174839   1.091784   2.759591
    25  H    4.526447   3.492912   2.170876   2.754822   1.091701
    26  H    3.595127   2.807055   2.169512   2.787877   1.093964
    27  H    2.928324   2.794582   2.179201   3.477368   1.090292
    28  H    4.537545   6.259751   6.957112   8.417152   7.058620
    29  C    4.429000   6.557622   7.048810   8.572291   6.680012
    30  H    5.442291   7.395830   8.586976   9.887137   8.811877
    31  H    4.525883   6.380298   6.647964   8.173087   6.228796
    32  H    4.172932   6.483694   6.986329   8.486955   6.450449
    33  H    5.479122   7.623679   8.123575   9.648381   7.753676
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516728   0.000000
    13  O    2.425638   1.203804   0.000000
    14  O    2.376952   1.352419   2.241915   0.000000
    15  H    4.669744   5.617635   6.524441   5.660864   0.000000
    16  H    2.724295   3.822878   4.916328   3.840392   2.457450
    17  H    2.736676   2.856120   2.781135   3.874076   4.932534
    18  H    4.674833   5.008419   5.110942   5.681973   4.273648
    19  H    6.305427   6.920851   7.539221   7.028176   2.584518
    20  H    6.309964   6.808135   7.164593   7.171706   3.741482
    21  H    6.388726   7.445104   8.105948   7.827540   2.673529
    22  H    8.356903   9.162963   9.762932   9.370462   4.234242
    23  H    8.474934   9.193663   9.591882   9.591791   5.091789
    24  H    8.710836   9.668365  10.190528  10.090797   5.010026
    25  H    7.295440   8.354258   8.737003   9.067911   4.868160
    26  H    6.971400   7.761745   7.986889   8.480951   4.951831
    27  H    5.604267   6.616915   6.972722   7.388732   3.953096
    28  H    1.090702   2.112446   3.203195   2.428857   4.616179
    29  C    1.529845   2.509559   2.869953   3.652812   5.602577
    30  H    3.207207   1.880654   2.283960   0.970239   6.434061
    31  H    2.156772   3.451744   3.926299   4.473577   5.305033
    32  H    2.168905   2.759471   2.699389   4.070915   5.987278
    33  H    2.173818   2.771176   3.017102   3.810990   6.526404
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276149   0.000000
    18  H    4.929037   2.456976   0.000000
    19  H    4.782082   5.403321   3.604109   0.000000
    20  H    5.496792   4.685574   2.393606   1.754785   0.000000
    21  H    4.729103   5.803110   4.293983   2.483916   3.042415
    22  H    6.638939   7.394275   5.339490   2.454796   3.117592
    23  H    7.269412   6.988921   4.681575   3.028128   2.586318
    24  H    7.204245   7.639571   5.616592   3.685670   3.772173
    25  H    6.398329   6.117548   4.491373   4.302758   3.775213
    26  H    6.452161   5.231349   3.201776   3.775159   2.593052
    27  H    5.053446   4.373245   3.033644   3.802515   3.128519
    28  H    2.304348   3.771266   5.495089   6.585151   6.858844
    29  C    3.778293   3.055548   5.141196   7.193975   6.982033
    30  H    4.763541   4.256014   6.066442   7.573323   7.620525
    31  H    3.601218   3.575225   5.285496   7.041582   6.911531
    32  H    4.487213   2.501120   4.685686   7.228407   6.752015
    33  H    4.486289   3.956933   6.172950   8.224222   8.050955
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.488439   0.000000
    23  H    3.058153   1.765681   0.000000
    24  H    2.492869   1.766702   1.764161   0.000000
    25  H    2.486330   3.756910   3.124005   2.544509   0.000000
    26  H    3.055627   3.797046   2.612967   3.124955   1.764954
    27  H    2.486577   4.327185   3.798580   3.761178   1.765929
    28  H    6.604025   8.603811   8.929681   9.029161   7.762549
    29  C    6.856910   9.016932   8.964834   9.084244   7.303732
    30  H    8.562167   9.969494  10.117704  10.743668   9.751368
    31  H    6.345218   8.647700   8.654447   8.576233   6.726109
    32  H    6.952900   9.023308   8.759919   9.010955   7.102716
    33  H    7.893904  10.074655  10.053650  10.148649   8.346386
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.765096   0.000000
    28  H    7.612186   6.161864   0.000000
    29  C    7.102216   5.636768   2.158877   0.000000
    30  H    9.029527   8.057316   3.369919   4.348347   0.000000
    31  H    6.772203   5.169582   2.503624   1.089957   5.261379
    32  H    6.722442   5.404078   3.065481   1.088625   4.612118
    33  H    8.178515   6.701751   2.494049   1.090865   4.422096
                   31         32         33
    31  H    0.000000
    32  H    1.769848   0.000000
    33  H    1.772909   1.762797   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 6.37D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.868055   -1.025183    0.932371
      2          6           0       -1.434107   -0.545371   -0.248073
      3          6           0        0.458923   -0.767507    1.247518
      4          6           0        1.261147   -0.015622    0.393477
      5          6           0        0.704012    0.460918   -0.791509
      6          6           0       -0.622388    0.197168   -1.104326
      7          6           0       -2.884143   -0.797677   -0.560930
      8          6           0       -3.859347    0.079867    0.248474
      9          6           0       -5.302322   -0.340915   -0.025297
     10          6           0       -3.656246    1.566161   -0.039220
     11          6           0        2.704700    0.290879    0.757917
     12          6           0        3.609551   -0.230826   -0.341871
     13          8           0        4.016576    0.405594   -1.279125
     14          8           0        3.899108   -1.541087   -0.173315
     15          1           0       -1.472172   -1.614332    1.612565
     16          1           0        0.878164   -1.158470    2.166794
     17          1           0        1.314336    1.031987   -1.479725
     18          1           0       -1.035819    0.574991   -2.031681
     19          1           0       -3.119764   -1.847600   -0.364999
     20          1           0       -3.064334   -0.629403   -1.626821
     21          1           0       -3.648628   -0.091406    1.310090
     22          1           0       -5.462258   -1.394737    0.212636
     23          1           0       -5.554412   -0.194814   -1.079386
     24          1           0       -6.003960    0.248931    0.567812
     25          1           0       -4.340507    2.174366    0.555493
     26          1           0       -3.848256    1.784180   -1.093903
     27          1           0       -2.638064    1.883648    0.187153
     28          1           0        2.943576   -0.269791    1.662471
     29          6           0        2.939441    1.783706    0.996225
     30          1           0        4.431862   -1.814062   -0.936873
     31          1           0        2.272779    2.139344    1.781775
     32          1           0        2.744635    2.353840    0.089526
     33          1           0        3.970359    1.973688    1.298054
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.5767951           0.2455312           0.2396504
 Leave Link  202 at Mon Sep 27 09:40:14 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   480 symmetry adapted cartesian basis functions of A   symmetry.
 There are   450 symmetry adapted basis functions of A   symmetry.
   450 basis functions,   666 primitive gaussians,   480 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       970.5837382899 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0618122691 Hartrees.
 Nuclear repulsion after empirical dispersion term =      970.5219260207 Hartrees.
 Leave Link  301 at Mon Sep 27 09:40:15 2021, MaxMem=  6442450944 cpu:               7.4 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   450 RedAO= T EigKep=  4.06D-06  NBF=   450
 NBsUse=   450 1.00D-06 EigRej= -1.00D+00 NBFU=   450
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   478   478   478   478   478 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Mon Sep 27 09:40:16 2021, MaxMem=  6442450944 cpu:               9.4 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Sep 27 09:40:17 2021, MaxMem=  6442450944 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer02_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Sep 27 09:40:18 2021, MaxMem=  6442450944 cpu:               8.6 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441981585 LenY=  6441750705
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 920000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.327577841618    
 DIIS: error= 3.29D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.327577841618     IErMin= 1 ErrMin= 3.29D-03
 ErrMax= 3.29D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-02 BMatP= 1.15D-02
 IDIUse=3 WtCom= 9.67D-01 WtEn= 3.29D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.223 Goal=   None    Shift=    0.000
 GapD=    0.223 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.69D-02 MaxDP=7.49D-01              OVMax= 1.65D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.11D-02    CP:  1.38D+00
 E= -656.337481312686     Delta-E=       -0.009903471068 Rises=F Damp=F
 DIIS: error= 6.73D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.337481312686     IErMin= 2 ErrMin= 6.73D-04
 ErrMax= 6.73D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.83D-04 BMatP= 1.15D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.73D-03
 Coeff-Com:  0.364D-01 0.964D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.361D-01 0.964D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=8.61D-04 MaxDP=4.39D-02 DE=-9.90D-03 OVMax= 7.19D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.73D-04    CP:  1.40D+00  1.04D+00
 E= -656.337333849641     Delta-E=        0.000147463045 Rises=F Damp=F
 DIIS: error= 7.77D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -656.337481312686     IErMin= 2 ErrMin= 6.73D-04
 ErrMax= 7.77D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.40D-04 BMatP= 3.83D-04
 IDIUse=3 WtCom= 2.64D-01 WtEn= 7.36D-01
 Coeff-Com: -0.135D-01 0.570D+00 0.444D+00
 Coeff-En:   0.000D+00 0.586D+00 0.414D+00
 Coeff:     -0.356D-02 0.582D+00 0.422D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=1.07D-04 MaxDP=4.99D-03 DE= 1.47D-04 OVMax= 3.90D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.76D-05    CP:  1.40D+00  1.04D+00  7.58D-01
 E= -656.337802578374     Delta-E=       -0.000468728733 Rises=F Damp=F
 DIIS: error= 1.30D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.337802578374     IErMin= 4 ErrMin= 1.30D-04
 ErrMax= 1.30D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-05 BMatP= 3.83D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.30D-03
 Coeff-Com: -0.848D-02 0.269D+00 0.215D+00 0.524D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.847D-02 0.269D+00 0.215D+00 0.525D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=3.24D-05 MaxDP=1.54D-03 DE=-4.69D-04 OVMax= 8.17D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.32D-05    CP:  1.40D+00  1.04D+00  7.03D-01  9.79D-01
 E= -656.337810706651     Delta-E=       -0.000008128276 Rises=F Damp=F
 DIIS: error= 3.63D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.337810706651     IErMin= 5 ErrMin= 3.63D-05
 ErrMax= 3.63D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.64D-06 BMatP= 1.04D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.286D-02 0.668D-01 0.544D-01 0.289D+00 0.593D+00
 Coeff:     -0.286D-02 0.668D-01 0.544D-01 0.289D+00 0.593D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=1.24D-05 MaxDP=6.51D-04 DE=-8.13D-06 OVMax= 5.72D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.71D-06    CP:  1.40D+00  1.04D+00  7.14D-01  9.68D-01  8.27D-01
 E= -656.337811607768     Delta-E=       -0.000000901117 Rises=F Damp=F
 DIIS: error= 2.22D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.337811607768     IErMin= 6 ErrMin= 2.22D-05
 ErrMax= 2.22D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.96D-07 BMatP= 1.64D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.660D-03 0.476D-02 0.441D-02 0.119D+00 0.421D+00 0.451D+00
 Coeff:     -0.660D-03 0.476D-02 0.441D-02 0.119D+00 0.421D+00 0.451D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=4.60D-06 MaxDP=1.79D-04 DE=-9.01D-07 OVMax= 2.35D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.39D-06    CP:  1.40D+00  1.04D+00  7.15D-01  9.61D-01  8.26D-01
                    CP:  8.01D-01
 E= -656.337812080678     Delta-E=       -0.000000472910 Rises=F Damp=F
 DIIS: error= 2.35D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.337812080678     IErMin= 7 ErrMin= 2.35D-06
 ErrMax= 2.35D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.69D-09 BMatP= 5.96D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.108D-03-0.148D-02-0.101D-02 0.293D-01 0.130D+00 0.171D+00
 Coeff-Com:  0.672D+00
 Coeff:     -0.108D-03-0.148D-02-0.101D-02 0.293D-01 0.130D+00 0.171D+00
 Coeff:      0.672D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=1.31D-06 MaxDP=7.44D-05 DE=-4.73D-07 OVMax= 1.89D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.02D-06    CP:  1.40D+00  1.04D+00  7.15D-01  9.66D-01  8.35D-01
                    CP:  7.71D-01  8.38D-01
 E= -656.337812085309     Delta-E=       -0.000000004631 Rises=F Damp=F
 DIIS: error= 7.54D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.337812085309     IErMin= 8 ErrMin= 7.54D-07
 ErrMax= 7.54D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-09 BMatP= 5.69D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.991D-05-0.108D-02-0.822D-03 0.632D-02 0.377D-01 0.551D-01
 Coeff-Com:  0.353D+00 0.550D+00
 Coeff:     -0.991D-05-0.108D-02-0.822D-03 0.632D-02 0.377D-01 0.551D-01
 Coeff:      0.353D+00 0.550D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=3.82D-07 MaxDP=1.55D-05 DE=-4.63D-09 OVMax= 1.18D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.86D-07    CP:  1.40D+00  1.04D+00  7.15D-01  9.66D-01  8.33D-01
                    CP:  7.73D-01  8.23D-01  8.08D-01
 E= -656.337812086251     Delta-E=       -0.000000000942 Rises=F Damp=F
 DIIS: error= 2.51D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.337812086251     IErMin= 9 ErrMin= 2.51D-07
 ErrMax= 2.51D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-10 BMatP= 1.04D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.649D-05-0.385D-03-0.302D-03-0.105D-03 0.521D-02 0.898D-02
 Coeff-Com:  0.111D+00 0.290D+00 0.586D+00
 Coeff:      0.649D-05-0.385D-03-0.302D-03-0.105D-03 0.521D-02 0.898D-02
 Coeff:      0.111D+00 0.290D+00 0.586D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=1.61D-07 MaxDP=7.71D-06 DE=-9.42D-10 OVMax= 4.85D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  8.21D-08    CP:  1.40D+00  1.04D+00  7.15D-01  9.66D-01  8.34D-01
                    CP:  7.75D-01  8.43D-01  7.99D-01  6.14D-01
 E= -656.337812086364     Delta-E=       -0.000000000113 Rises=F Damp=F
 DIIS: error= 9.51D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.337812086364     IErMin=10 ErrMin= 9.51D-08
 ErrMax= 9.51D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.41D-11 BMatP= 1.06D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.479D-05-0.157D-03-0.124D-03-0.558D-03 0.434D-03 0.121D-02
 Coeff-Com:  0.412D-01 0.135D+00 0.352D+00 0.472D+00
 Coeff:      0.479D-05-0.157D-03-0.124D-03-0.558D-03 0.434D-03 0.121D-02
 Coeff:      0.412D-01 0.135D+00 0.352D+00 0.472D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=4.07D-08 MaxDP=1.65D-06 DE=-1.13D-10 OVMax= 1.85D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.77D-08    CP:  1.40D+00  1.04D+00  7.15D-01  9.66D-01  8.34D-01
                    CP:  7.75D-01  8.42D-01  7.96D-01  6.47D-01  6.77D-01
 E= -656.337812086383     Delta-E=       -0.000000000019 Rises=F Damp=F
 DIIS: error= 2.28D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -656.337812086383     IErMin=11 ErrMin= 2.28D-08
 ErrMax= 2.28D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.56D-13 BMatP= 1.41D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.147D-05-0.249D-04-0.188D-04-0.278D-03-0.448D-03-0.737D-03
 Coeff-Com:  0.530D-02 0.265D-01 0.946D-01 0.241D+00 0.634D+00
 Coeff:      0.147D-05-0.249D-04-0.188D-04-0.278D-03-0.448D-03-0.737D-03
 Coeff:      0.530D-02 0.265D-01 0.946D-01 0.241D+00 0.634D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=1.28D-08 MaxDP=5.71D-07 DE=-1.86D-11 OVMax= 4.32D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  7.88D-09    CP:  1.40D+00  1.04D+00  7.15D-01  9.66D-01  8.34D-01
                    CP:  7.75D-01  8.42D-01  8.00D-01  6.58D-01  7.03D-01
                    CP:  7.39D-01
 E= -656.337812086359     Delta-E=        0.000000000023 Rises=F Damp=F
 DIIS: error= 7.60D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -656.337812086383     IErMin=12 ErrMin= 7.60D-09
 ErrMax= 7.60D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.32D-14 BMatP= 9.56D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.349D-06-0.532D-07 0.821D-06-0.975D-04-0.231D-03-0.489D-03
 Coeff-Com: -0.574D-03 0.249D-02 0.196D-01 0.838D-01 0.325D+00 0.571D+00
 Coeff:      0.349D-06-0.532D-07 0.821D-06-0.975D-04-0.231D-03-0.489D-03
 Coeff:     -0.574D-03 0.249D-02 0.196D-01 0.838D-01 0.325D+00 0.571D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=3.52D-09 MaxDP=1.62D-07 DE= 2.34D-11 OVMax= 1.26D-07

 SCF Done:  E(RB3LYP) =  -656.337812086     A.U. after   12 cycles
            NFock= 12  Conv=0.35D-08     -V/T= 2.0112
 KE= 6.490927630389D+02 PE=-3.463766083893D+03 EE= 1.187813582747D+03
 Leave Link  502 at Mon Sep 27 09:47:42 2021, MaxMem=  6442450944 cpu:            3541.3 elap:             442.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   450
 NBasis=   450 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    450 NOA=    56 NOB=    56 NVA=   394 NVB=   394

 **** Warning!!: The largest alpha MO coefficient is  0.69722083D+02

 Leave Link  801 at Mon Sep 27 09:47:42 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10080 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.68D-13 8.33D-09 XBig12= 1.00D+00 5.48D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.68D-13 8.33D-09 XBig12= 3.36D-01 1.78D-01.
     11 vectors produced by pass  2 Test12= 3.68D-13 8.33D-09 XBig12= 8.35D-02 9.15D-02.
     11 vectors produced by pass  3 Test12= 3.68D-13 8.33D-09 XBig12= 9.46D-03 2.48D-02.
     11 vectors produced by pass  4 Test12= 3.68D-13 8.33D-09 XBig12= 1.66D-03 1.31D-02.
     11 vectors produced by pass  5 Test12= 3.68D-13 8.33D-09 XBig12= 1.64D-04 2.56D-03.
     11 vectors produced by pass  6 Test12= 3.68D-13 8.33D-09 XBig12= 8.20D-06 4.05D-04.
     11 vectors produced by pass  7 Test12= 3.68D-13 8.33D-09 XBig12= 2.43D-07 7.17D-05.
     11 vectors produced by pass  8 Test12= 3.68D-13 8.33D-09 XBig12= 6.79D-09 1.17D-05.
     11 vectors produced by pass  9 Test12= 3.68D-13 8.33D-09 XBig12= 2.10D-10 3.37D-06.
      8 vectors produced by pass 10 Test12= 3.68D-13 8.33D-09 XBig12= 2.73D-12 3.60D-07.
      2 vectors produced by pass 11 Test12= 3.68D-13 8.33D-09 XBig12= 4.67D-14 4.34D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 7.11D-14
 Solved reduced A of dimension   120 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.224830D+03
      2  0.101445D+02  0.142078D+03
      3  0.338518D+01 -0.962363D+01  0.145091D+03
 Isotropic polarizability for W=    0.088559      170.67 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.267347D+03 -0.285879D+02 -0.589940D+02
      2   0.128645D+03  0.324701D+02  0.368947D+02
      3   0.138702D+03 -0.388220D+01  0.220993D+02
      4   0.115555D+02 -0.846373D+02  0.854801D+01
      5  -0.102608D+02  0.995088D+01 -0.821278D+02
      6   0.147027D+02  0.369407D+02  0.186451D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.382898D+01  0.362103D+01 -0.444988D+01
      2  -0.371870D+02 -0.205434D+01 -0.456845D+02
      3  -0.832474D+01  0.437514D+02 -0.430955D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.140287D+01  0.459968D-01 -0.225273D+02
      2  -0.487332D+02 -0.615468D+01 -0.220830D+03
      3   0.401434D+02  0.213283D+03  0.475181D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.283123D+01  0.230560D+01  0.539566D+01
      2   0.230560D+01 -0.177895D+01 -0.460117D+00
      3   0.539566D+01 -0.460117D+00  0.207527D+01
 OR G Eigenvalues:    -7.1979    -0.9917     5.6547  Iso=     0.8450
 Eigenvectors:
   (1)   0.792038  -0.377710  -0.479594
   (2)   0.252326   0.917916  -0.306206
   (3)   0.555884   0.121513   0.822331
 w=    0.088559 a.u., Optical Rotation Beta=      0.8450 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      207.71 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  101475 ScalPx= 4.38D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.09D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.13D-14 2.78D-09 XBig12= 1.00D+00 4.73D-01.
     30 vectors produced by pass  1 Test12= 6.13D-14 2.78D-09 XBig12= 5.41D-02 3.44D-02.
     30 vectors produced by pass  2 Test12= 6.13D-14 2.78D-09 XBig12= 1.78D-03 6.83D-03.
     30 vectors produced by pass  3 Test12= 6.13D-14 2.78D-09 XBig12= 4.42D-05 7.90D-04.
     30 vectors produced by pass  4 Test12= 6.13D-14 2.78D-09 XBig12= 6.87D-07 1.33D-04.
     30 vectors produced by pass  5 Test12= 6.13D-14 2.78D-09 XBig12= 5.84D-09 8.24D-06.
     30 vectors produced by pass  6 Test12= 6.13D-14 2.78D-09 XBig12= 4.53D-11 7.38D-07.
     30 vectors produced by pass  7 Test12= 6.13D-14 2.78D-09 XBig12= 2.25D-13 3.72D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.22D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 1.67D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 1.67D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.48D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.224830D+03  0.101445D+02  0.338518D+01
      2   0.101445D+02  0.142078D+03 -0.962363D+01
      3   0.338518D+01 -0.962363D+01  0.145091D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.382898D+01  0.362103D+01 -0.444988D+01
      2  -0.371870D+02 -0.205434D+01 -0.456845D+02
      3  -0.832474D+01  0.437514D+02 -0.430955D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.267347D+03 -0.285879D+02 -0.589940D+02
      2   0.128645D+03  0.324701D+02  0.368947D+02
      3   0.138702D+03 -0.388220D+01  0.220993D+02
      4   0.115555D+02 -0.846373D+02  0.854801D+01
      5  -0.102608D+02  0.995088D+01 -0.821278D+02
      6   0.147027D+02  0.369407D+02  0.186451D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.107946D+02  0.172756D+01  0.153432D+01 -0.304776D+01 -0.328457D+00
      2   0.172756D+01 -0.564790D+00  0.722881D+00 -0.328457D+00 -0.398202D+01
      3   0.153432D+01  0.722881D+00 -0.303286D+01 -0.235332D+01  0.804594D+00
                 6             7             8             9            10 
      1  -0.235332D+01  0.153366D+02  0.381975D+00  0.128397D+01 -0.335992D+02
      2   0.804594D+00  0.381975D+00 -0.140892D+01  0.146541D+01 -0.194971D+01
      3   0.678033D+00  0.128397D+01  0.146541D+01  0.123182D+01 -0.279109D+01
                11            12            13            14            15 
      1  -0.194971D+01 -0.279109D+01 -0.392474D+01 -0.424524D+01 -0.210172D+01
      2  -0.182844D+01  0.682221D+00 -0.424524D+01 -0.224147D+01 -0.666728D+00
      3   0.682221D+00 -0.262067D+01 -0.210172D+01 -0.666728D+00 -0.151763D+01
                16            17            18            19            20 
      1  -0.697590D+01 -0.228843D+01 -0.215473D+01 -0.136751D+02 -0.262879D+01
      2  -0.228843D+01 -0.495241D+00 -0.851302D+00 -0.262879D+01  0.218976D+01
      3  -0.215473D+01 -0.851302D+00 -0.107546D+01 -0.188593D+01 -0.171649D+01
                21            22            23            24            25 
      1  -0.188593D+01 -0.127464D+02 -0.643534D-01 -0.289860D+00  0.805113D+01
      2  -0.171649D+01 -0.643534D-01 -0.246474D+01  0.109646D+01  0.248214D+01
      3   0.457764D+00 -0.289860D+00  0.109646D+01  0.291252D+01 -0.235894D+00
                26            27            28            29            30 
      1   0.248214D+01 -0.235894D+00  0.308287D+02  0.387403D+01  0.318636D+01
      2   0.696535D+00  0.160414D+01  0.387403D+01  0.221757D+01 -0.440950D-01
      3   0.160414D+01  0.280260D+01  0.318636D+01 -0.440950D-01  0.253922D+01
                31            32            33            34            35 
      1   0.369949D+01  0.430092D+01  0.257924D+01  0.364831D+01  0.286242D+01
      2   0.430092D+01  0.183526D+01  0.142199D+01  0.286242D+01  0.172041D+01
      3   0.257924D+01  0.142199D+01  0.103655D+01  0.266645D+01 -0.446748D+00
                36            37            38            39            40 
      1   0.266645D+01 -0.978356D+01 -0.179773D+01 -0.194751D+01  0.413855D+01
      2  -0.446748D+00 -0.179773D+01  0.908286D-01 -0.110231D+00  0.107474D+01
      3   0.894666D+00 -0.194751D+01 -0.110231D+00  0.288214D+01  0.185688D+01
                41            42            43            44            45 
      1   0.107474D+01  0.185688D+01 -0.154989D+02 -0.164453D+01 -0.115210D+01
      2   0.381366D+01 -0.102588D+01 -0.164453D+01 -0.113226D+00 -0.868754D+00
      3  -0.102588D+01 -0.709838D+00 -0.115210D+01 -0.868754D+00 -0.171791D+01
                46            47            48            49            50 
      1   0.126597D+02  0.231385D+01  0.161490D+01  0.119046D+02 -0.530906D+00
      2   0.231385D+01 -0.128695D+01  0.836492D+00 -0.530906D+00  0.216341D+01
      3   0.161490D+01  0.836492D+00  0.497050D-01  0.113978D+01 -0.155620D+01
                51            52            53            54            55 
      1   0.113978D+01 -0.789339D+01 -0.169239D+01  0.201342D+00  0.211597D+02
      2  -0.155620D+01 -0.169239D+01 -0.754473D+00 -0.130226D+01 -0.917155D+00
      3  -0.264250D+01  0.201342D+00 -0.130226D+01 -0.265916D+01  0.258088D+00
                56            57            58            59            60 
      1  -0.917155D+00  0.258088D+00 -0.488879D+01  0.535191D+01  0.103210D+01
      2   0.236990D+01  0.451396D+00  0.535191D+01  0.591714D+01 -0.237680D+00
      3   0.451396D+00  0.115381D+01  0.103210D+01 -0.237680D+00 -0.926972D+00
                61            62            63            64            65 
      1  -0.729289D+01  0.116045D+01  0.257998D+01 -0.461999D+01  0.426509D+01
      2   0.116045D+01 -0.171740D+01 -0.348195D+00  0.426509D+01 -0.204041D+01
      3   0.257998D+01 -0.348195D+00  0.577602D+01  0.107444D+01 -0.478998D+00
                66            67            68            69            70 
      1   0.107444D+01  0.130437D+02 -0.339358D+01 -0.459531D+00  0.991949D+01
      2  -0.478998D+00 -0.339358D+01 -0.465477D+01  0.576011D+00 -0.687713D+00
      3  -0.219425D+01 -0.459531D+00  0.576011D+00  0.180244D+01 -0.313086D+01
                71            72            73            74            75 
      1  -0.687713D+00 -0.313086D+01 -0.278908D+01 -0.371232D+01 -0.220053D+01
      2   0.145101D+01  0.178699D+01 -0.371232D+01  0.189791D+01  0.686589D+00
      3   0.178699D+01 -0.738667D+01 -0.220053D+01  0.686589D+00  0.274636D+01
                76            77            78            79            80 
      1  -0.624530D+01  0.365827D+01  0.983341D+00 -0.455105D+01  0.918795D+00
      2   0.365827D+01  0.586613D+01 -0.211852D+01  0.918795D+00 -0.237888D+01
      3   0.983341D+00 -0.211852D+01 -0.161632D+01  0.436848D+01 -0.125752D+01
                81            82            83            84            85 
      1   0.436848D+01 -0.331959D+01 -0.434235D+01 -0.274374D+01 -0.558303D+01
      2  -0.125752D+01 -0.434235D+01  0.212812D+01  0.877079D+00  0.224393D+01
      3   0.487176D+01 -0.274374D+01  0.877079D+00  0.178849D+01  0.844218D+00
                86            87            88            89            90 
      1   0.224393D+01  0.844218D+00 -0.441005D+01  0.106798D+01  0.269948D+01
      2   0.248428D+01 -0.137507D+01  0.106798D+01 -0.235565D+01 -0.314786D+01
      3  -0.137507D+01 -0.226170D+01  0.269948D+01 -0.314786D+01  0.465100D+01
                91            92            93            94            95 
      1  -0.651881D+01  0.576961D+00 -0.338233D+00  0.115295D+01 -0.540977D+01
      2   0.576961D+00 -0.236863D+01 -0.833962D+00 -0.540977D+01 -0.371325D+01
      3  -0.338233D+00 -0.833962D+00 -0.153775D+01 -0.292697D+01 -0.271457D+01
                96            97            98            99           100 
      1  -0.292697D+01  0.537164D+01 -0.221580D+01 -0.319899D+01 -0.381845D+01
      2  -0.271457D+01 -0.221580D+01 -0.906271D+00  0.290817D+01 -0.189282D+01
      3   0.179056D+01 -0.319899D+01  0.290817D+01 -0.191219D+01  0.134395D+01
               101           102           103           104           105 
      1  -0.189282D+01  0.134395D+01 -0.468880D+01  0.815302D+00  0.371257D+01
      2  -0.591447D-01  0.139615D+01  0.815302D+00  0.347300D+00 -0.130364D+00
      3   0.139615D+01  0.337673D+00  0.371257D+01 -0.130364D+00 -0.390544D+01
               106           107           108           109           110 
      1   0.390354D+01  0.203910D+01 -0.872358D+00  0.617838D+01  0.234884D+01
      2   0.203910D+01  0.448184D+00 -0.272507D+01  0.234884D+01  0.145325D+01
      3  -0.872358D+00 -0.272507D+01  0.192785D+01 -0.343353D+01 -0.936044D+00
               111           112           113           114           115 
      1  -0.343353D+01  0.717700D+01  0.188710D+01 -0.235104D+01 -0.104020D+02
      2  -0.936044D+00  0.188710D+01  0.419131D+01 -0.181968D+01 -0.122505D+01
      3   0.157121D+01 -0.235104D+01 -0.181968D+01  0.304405D+01  0.411212D+01
               116           117           118           119           120 
      1  -0.122505D+01  0.411212D+01 -0.428601D+00  0.350108D+00  0.226548D+01
      2  -0.289411D+01  0.234257D+01  0.350108D+00 -0.160766D+01 -0.178729D+01
      3   0.234257D+01 -0.695096D+01  0.226548D+01 -0.178729D+01 -0.164077D+01
               121           122           123           124           125 
      1  -0.390228D+01  0.100157D+00 -0.188296D+01  0.491565D+01 -0.341677D+01
      2   0.100157D+00 -0.413290D+01  0.172710D+01 -0.341677D+01  0.380091D+01
      3  -0.188296D+01  0.172710D+01  0.115594D+01 -0.174696D+01  0.937397D+00
               126           127           128           129           130 
      1  -0.174696D+01 -0.351991D+01 -0.192126D+01  0.184975D+01 -0.211673D+01
      2   0.937397D+00 -0.192126D+01 -0.178771D+01  0.141997D+01 -0.172469D+01
      3   0.303453D+01  0.184975D+01  0.141997D+01 -0.151846D+01  0.187756D+01
               131           132           133           134           135 
      1  -0.172469D+01  0.187756D+01  0.235698D+01  0.160970D+01 -0.204796D+01
      2  -0.233351D+01  0.193659D+01  0.160970D+01  0.251883D+01 -0.246756D+01
      3   0.193659D+01 -0.246505D+01 -0.204796D+01 -0.246756D+01  0.349272D+01
               136           137           138           139           140 
      1   0.193477D+01 -0.607616D+00  0.207772D+01 -0.694852D+00  0.389865D+00
      2  -0.607616D+00  0.422842D+00 -0.688303D+00  0.389865D+00 -0.121983D+01
      3   0.207772D+01 -0.688303D+00  0.232895D+01 -0.909594D+00  0.145519D+01
               141           142           143           144           145 
      1  -0.909594D+00  0.194861D+01 -0.120441D+01  0.261540D+01  0.358303D+01
      2   0.145519D+01 -0.120441D+01  0.192788D+01 -0.279321D+01  0.149582D+01
      3  -0.315324D+01  0.261540D+01 -0.279321D+01  0.676044D+01 -0.149644D+01
               146           147           148           149           150 
      1   0.149582D+01 -0.149644D+01  0.174400D+01  0.122063D+01 -0.148424D+01
      2   0.124909D+01 -0.848712D+00  0.122063D+01  0.144952D+01 -0.135343D+01
      3  -0.848712D+00  0.130469D+01 -0.148424D+01 -0.135343D+01  0.204727D+01
               151           152           153           154           155 
      1  -0.207934D+01 -0.127314D+01  0.185329D+01 -0.175873D+01  0.600305D+00
      2  -0.127314D+01 -0.194372D+01  0.187398D+01  0.600305D+00 -0.267931D+00
      3   0.185329D+01  0.187398D+01 -0.328386D+01 -0.188694D+01  0.495961D+00
               156           157           158           159           160 
      1  -0.188694D+01  0.372830D+00 -0.305060D+00  0.699589D+00 -0.231916D+01
      2   0.495961D+00 -0.305060D+00  0.870866D+00 -0.116984D+01  0.106792D+01
      3  -0.213382D+01  0.699589D+00 -0.116984D+01  0.286436D+01 -0.258266D+01
               161           162           163           164           165 
      1   0.106792D+01 -0.258266D+01 -0.372058D+01 -0.171272D+01  0.173467D+00
      2  -0.149539D+01  0.222974D+01 -0.171272D+01 -0.170292D+01 -0.254165D+00
      3   0.222974D+01 -0.664616D+01  0.173467D+00 -0.254165D+00 -0.226619D+00
               166           167           168           169           170 
      1  -0.474309D+01 -0.340098D+01 -0.517116D+00  0.434360D+01  0.372309D+00
      2  -0.340098D+01 -0.852690D+01 -0.463380D+00  0.372309D+00  0.104301D+01
      3  -0.517116D+00 -0.463380D+00 -0.749064D+00 -0.500609D+00 -0.884674D+00
               171           172           173           174           175 
      1  -0.500609D+00 -0.118305D+01  0.308585D+00 -0.127973D+01  0.256829D+01
      2  -0.884674D+00  0.308585D+00 -0.474066D+00 -0.195370D+00 -0.713668D+00
      3  -0.276831D+00 -0.127973D+01 -0.195370D+00 -0.121418D+01  0.287048D+00
               176           177           178           179           180 
      1  -0.713668D+00  0.287048D+00 -0.306032D+01 -0.186964D+00 -0.214403D+01
      2  -0.375349D+00 -0.771474D+00 -0.186964D+00 -0.977227D+00 -0.762502D+00
      3  -0.771474D+00  0.736963D+00 -0.214403D+01 -0.762502D+00 -0.695197D+01
               181           182           183           184           185 
      1   0.118049D+01 -0.106140D+01  0.109500D+01 -0.215034D+01  0.350644D+00
      2  -0.106140D+01  0.427899D+00  0.706374D-01  0.350644D+00  0.563257D-01
      3   0.109500D+01  0.706374D-01  0.743360D+00 -0.124691D+00  0.937393D+00
               186           187           188           189           190 
      1  -0.124691D+00  0.188980D+01 -0.114602D-01  0.357811D+00 -0.889200D+00
      2   0.937393D+00 -0.114602D-01  0.129396D+01 -0.829636D+00 -0.130027D+01
      3  -0.875978D+00  0.357811D+00 -0.829636D+00  0.735898D+01  0.495654D+00
               191           192           193           194           195 
      1  -0.130027D+01  0.495654D+00 -0.340255D+01 -0.348525D+01  0.346772D+00
      2  -0.131845D+01  0.161302D+00 -0.348525D+01 -0.817547D+01  0.113294D+01
      3   0.161302D+00 -0.454803D+00  0.346772D+00  0.113294D+01 -0.108969D+01
               196           197           198           199           200 
      1   0.117290D+01  0.468422D+00 -0.111640D+01 -0.169484D+01  0.345826D+00
      2   0.468422D+00  0.150458D+01 -0.102087D+01  0.345826D+00 -0.381361D+00
      3  -0.111640D+01 -0.102087D+01  0.265766D+00 -0.134853D+01 -0.173829D-01
               201           202           203           204           205 
      1  -0.134853D+01  0.116606D+01 -0.937232D+00  0.245259D+00 -0.387070D+01
      2  -0.173829D-01 -0.937232D+00 -0.264483D+00 -0.660777D+00 -0.261655D+00
      3  -0.149410D+01  0.245259D+00 -0.660777D+00  0.718019D+00 -0.338409D+01
               206           207           208           209           210 
      1  -0.261655D+00 -0.338409D+01 -0.732458D+01  0.214222D+01  0.247102D+01
      2  -0.108619D+01  0.174623D+00  0.214222D+01 -0.143075D+01 -0.754085D+00
      3   0.174623D+00 -0.659413D+01  0.247102D+01 -0.754085D+00 -0.172363D+01
               211           212           213           214           215 
      1   0.540842D+01 -0.238265D+01 -0.128388D+01  0.519364D+01 -0.103188D+01
      2  -0.238265D+01  0.142254D+01  0.117204D+01 -0.103188D+01  0.144711D+01
      3  -0.128388D+01  0.117204D+01  0.131704D+01 -0.287131D+01  0.101975D+01
               216           217           218           219           220 
      1  -0.287131D+01 -0.438227D+01  0.331779D+01  0.176810D+01  0.260918D+01
      2   0.101975D+01  0.331779D+01 -0.332985D+01 -0.114424D+01 -0.306828D+01
      3   0.177817D+01  0.176810D+01 -0.114424D+01 -0.141781D+01 -0.119224D+01
               221           222           223           224           225 
      1  -0.306828D+01 -0.119224D+01  0.294543D+01 -0.190968D+01 -0.195781D+01
      2   0.405002D+01  0.174106D+01 -0.190968D+01  0.290076D+01  0.205964D+01
      3   0.174106D+01  0.138890D+01 -0.195781D+01  0.205964D+01  0.172750D+01
               226           227           228           229           230 
      1  -0.502134D+00  0.930578D+00 -0.802697D+00  0.726844D+00 -0.602216D+00
      2   0.930578D+00 -0.771316D+00  0.258057D+00 -0.602216D+00  0.114936D+01
      3  -0.802697D+00  0.258057D+00 -0.104692D+01  0.219534D+00 -0.107303D+01
               231           232           233           234           235 
      1   0.219534D+00 -0.167286D+01  0.678854D+00 -0.147061D+01  0.819151D+01
      2  -0.107303D+01  0.678854D+00 -0.241061D+01  0.233266D+01  0.126246D+01
      3   0.118762D+01 -0.147061D+01  0.233266D+01 -0.611636D+01  0.113326D+01
               236           237           238           239           240 
      1   0.126246D+01  0.113326D+01  0.110449D+01  0.136893D+01  0.180095D+00
      2   0.245697D+01  0.303038D+00  0.136893D+01  0.139866D+01  0.456191D+00
      3   0.303038D+00  0.707349D+00  0.180095D+00  0.456191D+00  0.650081D+00
               241           242           243           244           245 
      1   0.114769D+01  0.312831D+00  0.385540D+00 -0.319514D+00 -0.111241D+01
      2   0.312831D+00  0.800303D+00  0.879795D+00 -0.111241D+01  0.576791D+00
      3   0.385540D+00  0.879795D+00  0.136325D+00  0.125800D+01 -0.235454D+00
               246           247           248           249           250 
      1   0.125800D+01 -0.191530D+01  0.966608D+00 -0.447283D+00  0.209767D+01
      2  -0.235454D+00  0.966608D+00 -0.145238D+01  0.150602D+01 -0.233926D+00
      3   0.113006D+01 -0.447283D+00  0.150602D+01 -0.196055D+01  0.199197D+01
               251           252           253           254           255 
      1  -0.233926D+00  0.199197D+01 -0.830483D+01 -0.433306D+01 -0.430762D+01
      2   0.184437D+01 -0.156137D+01 -0.433306D+01  0.854805D+00  0.341335D+00
      3  -0.156137D+01  0.527846D+01 -0.430762D+01  0.341335D+00  0.171754D+01
               256           257           258           259           260 
      1   0.184876D+01  0.381316D+01  0.134169D+01 -0.371037D+01  0.606015D+00
      2   0.381316D+01  0.391564D+01  0.230566D+01  0.606015D+00  0.136616D+01
      3   0.134169D+01  0.230566D+01 -0.182891D+01  0.192150D+01 -0.318550D+01
               261           262           263           264           265 
      1   0.192150D+01  0.409450D+01 -0.301396D+01 -0.197255D+01 -0.184097D+01
      2  -0.318550D+01 -0.301396D+01  0.270611D+01  0.137244D+01  0.218770D+01
      3  -0.187755D-01 -0.197255D+01  0.137244D+01  0.171134D+01  0.108270D+01
               266           267           268           269           270 
      1   0.218770D+01  0.108270D+01 -0.392422D+01  0.316792D+01  0.311505D+01
      2  -0.327800D+01 -0.123544D+01  0.316792D+01 -0.351834D+01 -0.265162D+01
      3  -0.123544D+01 -0.130446D+01  0.311505D+01 -0.265162D+01 -0.319825D+01
               271           272           273           274           275 
      1  -0.145947D+01  0.123661D+01  0.172312D+01  0.522828D+00 -0.860195D+00
      2   0.123661D+01 -0.213254D+01 -0.145783D+01 -0.860195D+00  0.171107D+01
      3   0.172312D+01 -0.145783D+01 -0.224045D+01 -0.548322D+00  0.125980D+01
               276           277           278           279           280 
      1  -0.548322D+00  0.201671D+01 -0.493833D+00 -0.113283D+01  0.423318D+00
      2   0.125980D+01 -0.493833D+00  0.229273D+01  0.263402D+01  0.743402D+00
      3   0.150002D+01 -0.113283D+01  0.263402D+01  0.424286D+01 -0.304408D+00
               281           282           283           284           285 
      1   0.743402D+00 -0.304408D+00  0.812162D+00 -0.257178D-01 -0.809181D-01
      2  -0.685162D+00  0.725944D-01 -0.257178D-01  0.302428D+01 -0.162766D+01
      3   0.725944D-01 -0.462455D+00 -0.809181D-01 -0.162766D+01  0.170853D+01
               286           287           288           289           290 
      1  -0.156463D+01 -0.523414D+00 -0.390985D+00  0.125828D+02  0.446353D+01
      2  -0.523414D+00 -0.339149D+01  0.164163D+01  0.446353D+01  0.299624D+01
      3  -0.390985D+00  0.164163D+01 -0.288104D+01  0.341686D+01  0.135450D+01
               291           292           293           294           295 
      1   0.341686D+01  0.189081D+01  0.174838D+01  0.525315D+00  0.296641D+01
      2   0.135450D+01  0.174838D+01  0.114830D+01  0.470702D+00  0.110422D+01
      3   0.178989D+01  0.525315D+00  0.470702D+00  0.468435D+00  0.193878D+01
               296           297 
      1   0.110422D+01  0.193878D+01
      2   0.790384D+00  0.121415D+01
      3   0.121415D+01  0.143825D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.194499D+01 -0.288025D+00 -0.201913D+01 -0.724730D+01 -0.122483D+01
      2   0.223727D+01 -0.208404D+01  0.253473D+01 -0.621214D+01  0.155096D+01
      3  -0.692217D+01 -0.362245D+01  0.168524D+00  0.107318D+02 -0.110740D+01
                 6             7             8             9            10 
      1  -0.375389D+01 -0.514540D+01  0.225041D+01 -0.969447D+00 -0.857259D+00
      2  -0.130140D+01 -0.466169D+01 -0.157397D+01  0.467762D+00  0.485115D+01
      3   0.347834D+01 -0.341715D+01 -0.165006D+01  0.367385D+01  0.143179D+02
                11            12            13            14            15 
      1  -0.180808D+01  0.139019D+01 -0.544347D+01  0.443928D+01 -0.713432D+01
      2   0.129100D+01 -0.362052D+01  0.841092D+01  0.323133D+01 -0.251866D+01
      3   0.161852D+01  0.759183D+00  0.157068D+02  0.122850D+01  0.748016D+00
                16            17            18            19            20 
      1   0.771475D+01  0.102171D+01 -0.497384D+01 -0.141429D+01  0.104523D+01
      2  -0.229627D+02 -0.215027D+01  0.822060D+00  0.115177D+01 -0.232506D+01
      3  -0.485781D+01  0.122365D+01 -0.151478D+01  0.209650D+01 -0.100275D+01
                21            22            23            24            25 
      1  -0.144995D+01  0.438728D+01  0.134383D+01  0.408882D+00  0.317822D+01
      2   0.838914D+01  0.323930D+01 -0.323235D+01  0.335285D+01 -0.860325D+01
      3   0.335880D+01  0.128137D+02  0.342649D+01  0.625557D+00  0.274631D+01
                26            27            28            29            30 
      1   0.297572D+01  0.378466D+01  0.987787D+00 -0.206929D+01  0.474657D+01
      2   0.982764D-01 -0.270752D+00 -0.586431D+01  0.731831D+00 -0.372262D+01
      3  -0.480158D-01 -0.248528D+01 -0.129777D+02 -0.178654D+01 -0.295593D+01
                31            32            33            34            35 
      1  -0.151421D+01  0.509690D+01 -0.588039D+01  0.934952D+01  0.303120D+01
      2   0.775950D+01  0.295514D+01 -0.420998D+01 -0.232402D+02 -0.671471D+01
      3   0.144213D+02  0.101528D+01 -0.165921D+01 -0.114713D+02 -0.788527D+00
                36            37            38            39            40 
      1  -0.388249D+01  0.846589D+00 -0.107005D+01  0.337190D+00 -0.523511D+01
      2  -0.386593D+01  0.858733D+01 -0.914790D+00  0.334700D+01 -0.805562D+01
      3  -0.126191D+01  0.324289D+01 -0.172566D+01  0.280949D+01  0.921313D+01
                41            42            43            44            45 
      1  -0.264619D+01 -0.339527D+01 -0.411399D+01  0.883583D+00 -0.270384D+01
      2   0.147455D+01 -0.230526D+01  0.183239D+01 -0.147906D+00  0.433161D+00
      3  -0.592193D+00  0.267630D+01  0.963252D+01  0.106409D+01  0.505405D+01
                46            47            48            49            50 
      1  -0.562173D+00  0.265426D+01 -0.126624D+01  0.634380D+01  0.870785D+00
      2  -0.405275D+01 -0.381862D+01  0.837708D+01 -0.667442D+01 -0.387728D+01
      3  -0.125802D+02 -0.337670D+01  0.204710D+01  0.664033D+01  0.155859D+01
                51            52            53            54            55 
      1  -0.191496D+01  0.265526D+01  0.244435D+01  0.608683D+00 -0.196391D+01
      2   0.509105D+01 -0.481247D+01  0.663893D+00 -0.120133D+01  0.451861D+01
      3  -0.930888D+00  0.972124D+01  0.113532D+01 -0.189783D+01 -0.172909D+02
                56            57            58            59            60 
      1   0.580571D+00 -0.218636D+00  0.122442D+00 -0.656605D+01 -0.268031D+01
      2  -0.166642D+01  0.120846D+01 -0.385190D+01  0.597802D+01  0.321666D+01
      3   0.572738D+01  0.173977D+01  0.296629D+02  0.139645D+02 -0.112699D+01
                61            62            63            64            65 
      1   0.925436D+00  0.219604D+01  0.644708D+01  0.227299D+01 -0.512104D+00
      2  -0.207005D+02  0.283987D+01 -0.214777D+02 -0.102303D+02  0.218264D+01
      3   0.104936D+02 -0.610405D+01 -0.495000D+01  0.266866D+02 -0.127857D+02
                66            67            68            69            70 
      1   0.802036D+00  0.117119D+01 -0.616226D+00 -0.268396D+01 -0.122031D+01
      2   0.112439D+02  0.458696D+01 -0.479053D+01 -0.639638D+01  0.114999D+02
      3  -0.207640D+01 -0.141322D+02 -0.180583D+02  0.260996D+01 -0.100123D+02
                71            72            73            74            75 
      1   0.388732D+01  0.153071D+01 -0.915445D+00 -0.248343D+00  0.116977D+01
      2  -0.914436D+01  0.348651D+02  0.141347D+02 -0.382499D+01 -0.140473D+02
      3   0.570127D+01  0.914359D+01 -0.190392D+02  0.113087D+02  0.516651D+01
                76            77            78            79            80 
      1  -0.113669D+01 -0.183296D+01 -0.196368D+01  0.215658D+01  0.142105D+01
      2  -0.561762D+01  0.133942D+02  0.814021D+01 -0.299692D+02  0.682221D+01
      3   0.293395D+02  0.333527D+02 -0.126978D+02  0.712141D+01 -0.138743D+02
                81            82            83            84            85 
      1   0.202892D+01  0.500219D+01 -0.177535D+01 -0.406757D+01 -0.229870D+01
      2  -0.281153D+02  0.102632D+02 -0.429043D+01 -0.522643D+01 -0.477754D+01
      3  -0.989927D+01 -0.286622D+02 -0.438005D+01 -0.164306D+01  0.108774D+01
                86            87            88            89            90 
      1   0.524422D+01  0.332399D+01 -0.658433D+01  0.970749D+01 -0.914659D+01
      2   0.538051D+01  0.872841D+01 -0.132434D+02  0.120930D+02 -0.184170D+02
      3   0.130554D+02 -0.349201D+01 -0.155331D+01 -0.648966D+01 -0.879425D+01
                91            92            93            94            95 
      1  -0.145927D+01 -0.206394D+01  0.768156D+00 -0.442562D+01 -0.201741D+01
      2   0.112965D+02 -0.207672D+01  0.598715D+00 -0.105291D+02 -0.467755D+01
      3  -0.704591D+01  0.232803D+01  0.247372D+01  0.259705D+02  0.104150D+02
                96            97            98            99           100 
      1  -0.704971D+01  0.377189D+01  0.177525D+01  0.424776D+01  0.241652D+01
      2   0.912375D+01 -0.254332D+02  0.106439D+02 -0.448792D+01 -0.190016D+02
      3   0.853581D+01  0.102840D+02  0.434984D+01 -0.108839D+02  0.173063D+02
               101           102           103           104           105 
      1   0.730346D+01 -0.110967D+01  0.258572D+01  0.614717D+01  0.215254D+01
      2   0.683411D+01  0.432840D+01  0.124767D+02 -0.722126D-01 -0.114424D+02
      3  -0.479614D+01 -0.519753D+01 -0.128785D+01 -0.347659D+01 -0.279936D+01
               106           107           108           109           110 
      1  -0.324155D+01  0.100656D+00 -0.323280D+01 -0.213814D+01 -0.470077D+01
      2  -0.988295D+01 -0.959367D+01  0.191943D+02 -0.473502D+01 -0.332968D+01
      3  -0.113725D+01 -0.127748D+02  0.821154D+01 -0.990779D+01 -0.869053D+01
               111           112           113           114           115 
      1  -0.845967D+00 -0.109264D+01 -0.583473D+01 -0.286422D+01 -0.168085D+00
      2   0.849472D+01 -0.880600D+01 -0.832803D+01  0.117135D+02  0.133345D+02
      3   0.359566D+01 -0.124293D+01 -0.166838D+02  0.710070D+01 -0.454579D+01
               116           117           118           119           120 
      1   0.842642D+01  0.631738D+00  0.311877D+01 -0.149725D+01 -0.642938D+00
      2   0.103592D+02 -0.314044D+02  0.109485D+02 -0.770021D+01 -0.354031D+01
      3   0.155860D+02 -0.844896D+01 -0.207797D+01  0.349760D+01  0.442684D+01
               121           122           123           124           125 
      1   0.176685D+01  0.112924D+01 -0.626570D+01 -0.333232D+01  0.307559D+01
      2  -0.234806D+01  0.648294D+01  0.188307D+01 -0.717078D+01  0.349941D+01
      3   0.384264D+01  0.173953D+02 -0.586935D+01  0.902593D+01 -0.105441D+02
               126           127           128           129           130 
      1   0.608176D+01  0.231990D+00 -0.181846D+01 -0.905981D+00  0.988920D+00
      2   0.117811D+02  0.544565D+01  0.126404D+01 -0.597774D-01  0.157217D+01
      3  -0.622341D+00  0.451513D+01 -0.354933D+00 -0.970803D+00  0.398942D+01
               131           132           133           134           135 
      1  -0.303347D+00 -0.317687D+01 -0.574481D+00  0.181836D+01  0.174911D+01
      2   0.538084D+00  0.355012D+00 -0.283164D+01  0.118364D-01 -0.153436D+01
      3  -0.111455D+01 -0.587720D+00 -0.162285D+01  0.158517D+01  0.787585D-02
               136           137           138           139           140 
      1   0.144756D+01  0.101907D+01  0.216575D+01 -0.442941D+00 -0.773336D+00
      2  -0.343706D+01  0.302046D+00 -0.941228D+00  0.503986D+00  0.132815D+00
      3  -0.304773D+01 -0.298304D+00 -0.178091D+01  0.132024D+01  0.641098D+00
               141           142           143           144           145 
      1  -0.274065D+01  0.494307D+00  0.301348D+01  0.236758D+01 -0.128005D+01
      2  -0.106459D+01 -0.429786D+01  0.166133D+00  0.993234D+00  0.621683D+01
      3   0.551393D+00 -0.254786D+01 -0.685436D+00 -0.161481D+01  0.324751D+01
               146           147           148           149           150 
      1  -0.263674D+01 -0.309375D+00 -0.741610D+00 -0.126391D+01 -0.187488D+01
      2   0.157791D+01 -0.492629D+00  0.344429D+01  0.560632D+00  0.366753D+00
      3  -0.697280D+00 -0.536010D+00  0.264441D+01 -0.959678D+00  0.113044D-01
               151           152           153           154           155 
      1   0.265659D+00  0.264163D+01  0.200516D+00 -0.364332D+00  0.135080D+01
      2  -0.235415D+01 -0.347954D+00 -0.108224D+01 -0.387629D+01  0.616515D+00
      3  -0.786893D+00  0.214293D+01 -0.240788D+00 -0.121889D+01 -0.403536D+00
               156           157           158           159           160 
      1   0.572425D+00  0.653952D-01 -0.133568D+01 -0.803336D+00 -0.146529D+01
      2  -0.637687D+00  0.375808D+00  0.319269D+00 -0.139442D+01 -0.481863D+01
      3  -0.364408D+00  0.798920D+00  0.575787D+00 -0.245245D+00 -0.676768D+00
               161           162           163           164           165 
      1   0.433942D+01 -0.128032D+01  0.105372D+01  0.103508D+01 -0.854332D+00
      2   0.146521D+00  0.179759D+01 -0.368262D+01 -0.542396D+00  0.191778D+01
      3  -0.141599D+01  0.647003D-01 -0.154001D+01 -0.498536D+01 -0.841520D+00
               166           167           168           169           170 
      1   0.149711D+01  0.556662D+01 -0.295753D+01 -0.937982D+00 -0.101487D+01
      2  -0.143995D+01 -0.220355D+01  0.263522D+01  0.158108D+01  0.266876D+01
      3  -0.309522D+01 -0.233485D+02 -0.144184D+01 -0.272143D+01  0.316010D+01
               171           172           173           174           175 
      1   0.150318D+00 -0.154872D+01  0.539233D+00 -0.969024D+00 -0.141212D+00
      2   0.124312D+01  0.408709D+01  0.746867D+00  0.461630D+01  0.108409D+01
      3  -0.164960D+01  0.287632D+01 -0.264804D+01  0.741736D+00 -0.218667D+01
               176           177           178           179           180 
      1  -0.602581D+00  0.164746D+00 -0.181160D+01  0.298151D+01 -0.726522D+01
      2   0.154638D+01 -0.270334D+01  0.876868D+00  0.207827D+01  0.211556D+02
      3  -0.569066D+00 -0.232936D+01  0.208353D+01 -0.344754D+01  0.767428D+00
               181           182           183           184           185 
      1  -0.183412D+01  0.874895D+00 -0.138418D+00  0.406619D+00 -0.149614D+00
      2  -0.769935D+01  0.623257D+00 -0.359010D+01  0.238626D+01 -0.434005D+01
      3  -0.513558D+01  0.144398D+01 -0.184087D+00  0.411565D+01  0.136217D+00
               186           187           188           189           190 
      1  -0.483704D+00 -0.792624D+00  0.332478D+01 -0.113576D+01  0.108237D+00
      2   0.420820D+01 -0.732493D+01  0.410089D+01 -0.313672D+02 -0.286353D+01
      3   0.395531D+01 -0.551186D+00  0.506803D+01 -0.376575D+01 -0.700200D+01
               191           192           193           194           195 
      1   0.588416D-01 -0.603083D+00  0.308227D+00  0.343903D+00 -0.325124D+01
      2  -0.807400D+00  0.303651D+01 -0.165429D+01 -0.693504D+01  0.698819D+01
      3  -0.773598D+01  0.570677D+00 -0.135593D+02 -0.444096D+02  0.628012D+01
               196           197           198           199           200 
      1  -0.576460D+00  0.362223D+00  0.440967D+00 -0.697741D+00  0.425180D+00
      2   0.464979D+01  0.550109D+01 -0.136657D+01  0.772956D+01  0.168655D+00
      3   0.164102D+01  0.847692D+01 -0.462468D+01  0.272734D+01 -0.319207D+01
               201           202           203           204           205 
      1  -0.865365D+00  0.131600D+00 -0.464362D+00 -0.448610D+00 -0.112133D+01
      2   0.954570D+01 -0.861202D+00  0.338370D+01 -0.416855D+01  0.149967D+02
      3   0.567693D+00 -0.409806D+01 -0.878858D+00 -0.338917D+01  0.357979D+00
               206           207           208           209           210 
      1   0.299677D+01 -0.276549D+01  0.888670D+00 -0.959977D+00 -0.999431D-02
      2  -0.135438D+01  0.378085D+02 -0.133852D+02  0.424117D+01  0.121858D+02
      3  -0.681012D+01  0.325602D+01  0.144736D+02 -0.115978D+02 -0.550409D+01
               211           212           213           214           215 
      1  -0.358505D+00  0.102943D+01 -0.591525D+00 -0.522114D+00  0.185710D+01
      2   0.663058D+01 -0.672412D+01 -0.857052D+01  0.144697D+02 -0.594280D+01
      3  -0.137544D+02  0.997135D+01  0.728470D+01 -0.737507D+01  0.983108D+01
               216           217           218           219           220 
      1   0.164854D+00 -0.374318D+01  0.173949D+01  0.438752D+01  0.291658D+01
      2  -0.104770D+02 -0.658129D+01  0.458485D+01  0.708903D+01  0.415657D+01
      3   0.705685D+01  0.518120D+01 -0.978760D+01 -0.140325D+01 -0.390378D+01
               221           222           223           224           225 
      1  -0.309407D+01 -0.441893D+01  0.426477D+01 -0.241374D+01 -0.387305D+01
      2  -0.675375D+01 -0.645157D+01  0.622858D+01 -0.806403D+01 -0.707816D+01
      3   0.116268D+02  0.450284D+01 -0.130860D+01  0.913541D+01  0.506649D+01
               226           227           228           229           230 
      1   0.165522D+01 -0.905224D-01  0.217445D+01 -0.516833D+00  0.165818D+01
      2   0.306788D+01 -0.998012D+00  0.438186D+01 -0.476302D+00  0.368969D+01
      3   0.372067D+01 -0.250502D+01 -0.122144D-01  0.193247D+00  0.335229D+01
               231           232           233           234           235 
      1  -0.373432D+01  0.272982D+01 -0.124963D+01  0.131499D+02 -0.107987D+01
      2  -0.415880D+01  0.182045D+01 -0.855907D+01  0.232894D+02 -0.417173D+01
      3  -0.356001D+01 -0.110080D+01 -0.937414D+01  0.758805D+01  0.267184D+02
               236           237           238           239           240 
      1  -0.370727D+00 -0.235494D+01  0.957894D-01 -0.949061D+00 -0.183586D+01
      2  -0.865395D+00 -0.122373D+01 -0.485471D+00 -0.172173D+01 -0.119712D+01
      3   0.100412D+02  0.351753D+01  0.103740D+02  0.655121D+01  0.229283D+01
               241           242           243           244           245 
      1  -0.206276D+01 -0.917961D-01 -0.832851D-01 -0.182286D+01  0.835862D+00
      2  -0.417814D+01 -0.259954D+01 -0.290171D+00  0.463234D+01  0.417088D+00
      3   0.317094D+01  0.344378D+01  0.421641D+01  0.395194D+01 -0.239551D+01
               246           247           248           249           250 
      1  -0.752818D+00  0.579290D+00 -0.280862D+01  0.767522D+00 -0.116777D+01
      2   0.338366D+01  0.142112D+01  0.416404D+01 -0.584257D+01  0.189814D+01
      3   0.116249D+01 -0.380837D+00  0.455646D+01 -0.490003D+01  0.118666D+00
               251           252           253           254           255 
      1   0.453841D+01 -0.262485D+01  0.347469D+01  0.130081D+01 -0.482078D+01
      2  -0.515865D+01  0.143369D+02 -0.595846D+01  0.469914D+01  0.126176D+02
      3  -0.615477D+01  0.580541D+01 -0.304149D+01 -0.142138D+02 -0.967715D+01
               256           257           258           259           260 
      1   0.313097D+01 -0.432520D+00  0.716693D+01 -0.256066D+01  0.126455D+02
      2   0.311480D+01  0.467263D+01 -0.901841D+01  0.904564D+01 -0.117405D+02
      3  -0.154324D+02 -0.929993D+01 -0.739107D+01 -0.860364D+01 -0.452368D+01
               261           262           263           264           265 
      1  -0.391257D+01 -0.246608D+01  0.905842D+00  0.293309D+01  0.217969D+01
      2  -0.126433D+01 -0.640920D+01  0.549288D+01  0.681234D+01  0.394396D+01
      3   0.145077D+02  0.613827D+01 -0.842993D+01 -0.274552D+01 -0.479713D+01
               266           267           268           269           270 
      1  -0.187318D+01 -0.258119D+01  0.341579D+01 -0.148532D+01 -0.466002D+01
      2  -0.522665D+01 -0.568185D+01  0.104065D+02 -0.103365D+02 -0.135807D+02
      3   0.102669D+02  0.340128D+01 -0.754794D+01  0.118407D+02  0.747863D+01
               271           272           273           274           275 
      1  -0.246914D+01 -0.104302D+01  0.383391D+01 -0.530139D+00 -0.582504D+00
      2   0.864033D+01 -0.524157D+01 -0.801633D+01 -0.233984D+01  0.509782D+01
      3  -0.876337D+01  0.749283D+01  0.774781D+01  0.550444D+01 -0.661937D+01
               276           277           278           279           280 
      1  -0.297902D+01  0.261454D+01 -0.628372D+00 -0.579491D+01  0.247699D+01
      2   0.507910D+01 -0.795814D+01  0.832491D+01  0.135390D+02 -0.203741D+01
      3  -0.528410D+01  0.636286D+01 -0.773063D+01 -0.112993D+02 -0.332347D+01
               281           282           283           284           285 
      1  -0.629486D+00  0.196229D+01 -0.298449D-02  0.673279D+01 -0.712576D+01
      2  -0.309996D+00 -0.138881D+01 -0.882169D+00 -0.519853D+01  0.537249D+01
      3   0.267464D+01 -0.139785D+01  0.278666D+01 -0.949363D+01  0.543143D+01
               286           287           288           289           290 
      1   0.149836D+01 -0.515690D+01  0.111363D+02 -0.131031D+01  0.191351D+01
      2  -0.283990D+01  0.563033D+01 -0.927391D+01 -0.212962D+01  0.208453D+00
      3  -0.301046D+01  0.101147D+02 -0.695981D+01  0.730549D+01 -0.575982D+01
               291           292           293           294           295 
      1  -0.303913D+01  0.757544D+00  0.582116D+00 -0.194020D+01 -0.256540D+01
      2   0.494413D+01 -0.954078D-01 -0.471307D+00  0.217129D+01  0.222814D+01
      3   0.125083D+01 -0.871339D+00 -0.140906D+01 -0.908967D-01  0.208843D+01
               296           297 
      1  -0.636767D+00 -0.123005D+01
      2   0.271041D+01  0.313743D+01
      3  -0.144321D+01 -0.985266D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.587537D+01 -0.100796D+02  0.183088D+02  0.148508D+02 -0.138388D+02
      2  -0.362183D+01  0.240479D+01 -0.202054D+01 -0.877339D+00  0.211208D+02
      3   0.949720D+01  0.767481D+01 -0.162883D+02 -0.139735D+02 -0.728201D+01
      4  -0.957641D+01 -0.551233D+01  0.867240D+01  0.110593D+01  0.966161D+00
      5   0.753225D+01  0.674663D+01  0.254968D+01  0.923633D+01  0.287813D+01
      6   0.623703D+01 -0.193441D+01  0.334966D+01  0.669810D+01  0.312421D+00
                 6             7             8             9            10 
      1   0.326018D+01 -0.359066D+02 -0.142738D+02  0.689065D+01  0.610868D+02
      2  -0.504446D+01  0.124380D+02  0.839355D+01 -0.869987D+01 -0.236607D+02
      3   0.178428D+01  0.234685D+02  0.588023D+01  0.180922D+01 -0.374261D+02
      4   0.354863D+01 -0.385549D+01  0.161329D+01 -0.554465D+01  0.230670D+01
      5  -0.728303D+01  0.562782D+01 -0.673120D+01  0.328022D+01  0.432879D+01
      6   0.226029D+00 -0.109257D+02 -0.729951D+01  0.740017D+01  0.200111D+01
                11            12            13            14            15 
      1   0.125204D+01  0.543242D+01 -0.448035D+01 -0.534227D+01  0.839677D+01
      2   0.142785D+01 -0.552507D+01  0.403759D+01  0.666863D+01 -0.338514D+01
      3  -0.267989D+01  0.926463D-01  0.442763D+00 -0.132636D+01 -0.501162D+01
      4   0.313813D+01 -0.477304D+01  0.900710D+01  0.315736D+01  0.105175D+01
      5  -0.470379D+01  0.458725D+01  0.123480D+02  0.308727D+00  0.189546D+01
      6  -0.176702D+01  0.255974D+01  0.487093D+01  0.337387D+01  0.105845D+02
                16            17            18            19            20 
      1   0.720595D+01  0.112309D+02 -0.141579D+02  0.115314D+02  0.166415D+02
      2   0.319241D+01  0.329534D+01  0.303450D+01  0.269734D+01 -0.122201D+02
      3  -0.103984D+02 -0.145263D+02  0.111234D+02 -0.142288D+02 -0.442131D+01
      4   0.191906D+02  0.101084D+01 -0.657499D+00  0.270766D+01  0.268830D+01
      5  -0.698717D+01 -0.101061D+00  0.308076D+01 -0.128778D+02  0.223297D+01
      6   0.455977D+01  0.642731D+01 -0.408558D+01 -0.294090D+01  0.395770D+01
                21            22            23            24            25 
      1  -0.154167D+02 -0.147590D+02 -0.308624D+01 -0.155190D+02  0.164185D+02
      2   0.116125D+02  0.431015D+01  0.100242D+02 -0.624826D+01 -0.487944D+01
      3   0.380423D+01  0.104488D+02 -0.693801D+01  0.217673D+02 -0.115390D+02
      4   0.602386D+00  0.123073D+02 -0.656394D+01 -0.957044D+00  0.292666D+01
      5  -0.109494D+02 -0.482623D+00 -0.933808D+00 -0.412267D+00  0.761994D+01
      6  -0.618143D+01 -0.473616D+01 -0.258531D+01  0.454272D+00  0.135996D+02
                26            27            28            29            30 
      1  -0.703976D+01  0.222619D+01  0.160913D+02  0.405536D+01  0.278056D+00
      2  -0.101303D+01 -0.218756D+01 -0.435416D+01 -0.180499D+01 -0.288244D+01
      3   0.805279D+01 -0.386283D-01 -0.117372D+02 -0.225037D+01  0.260438D+01
      4  -0.227180D+01  0.914313D+01  0.401648D+01  0.543921D+01 -0.200073D+01
      5   0.855206D+01 -0.613854D+01  0.681288D+01 -0.148979D+01  0.660440D+01
      6   0.122295D+01  0.126269D+02  0.908039D+01  0.377752D+01 -0.705256D+00
                31            32            33            34            35 
      1  -0.975463D+01 -0.680086D+01  0.986546D+01  0.104681D+01  0.126575D+02
      2  -0.145700D+01  0.322436D+01 -0.393519D+01  0.514331D+01  0.231294D+01
      3   0.112116D+02  0.357650D+01 -0.593027D+01 -0.619012D+01 -0.149704D+02
      4   0.103094D+02  0.348024D+01  0.344055D+01  0.212827D+02  0.307292D+01
      5   0.176066D+02  0.460032D+01  0.177774D+01 -0.414227D+01 -0.336568D+01
      6   0.469208D+01  0.493744D+01  0.986802D+01  0.248596D+01  0.657447D+01
                36            37            38            39            40 
      1  -0.154376D+02  0.295796D+01 -0.824756D+01  0.206292D+02  0.118138D+02
      2   0.318907D+01 -0.826599D+01  0.176378D+01 -0.429017D+01  0.959411D+00
      3   0.122485D+02  0.530803D+01  0.648378D+01 -0.163390D+02 -0.127733D+02
      4  -0.363938D+01 -0.116623D+02 -0.560727D+01  0.580874D+01  0.456448D+01
      5  -0.145614D+01  0.892833D+01  0.371520D+01  0.332772D+01  0.475412D+01
      6  -0.537720D+01  0.345213D+01 -0.309338D+01 -0.152685D+01  0.352803D+01
                41            42            43            44            45 
      1  -0.601610D+01 -0.829900D-01 -0.238242D+02 -0.119019D+02  0.977080D+01
      2   0.121092D+02 -0.175271D+01  0.465490D+01  0.366021D+01 -0.769405D+01
      3  -0.609306D+01  0.183570D+01  0.191693D+02  0.824170D+01 -0.207676D+01
      4   0.950943D+00  0.913241D+00 -0.732181D+01 -0.408423D+01 -0.612846D+01
      5   0.231954D+01 -0.876075D+01  0.818791D+01 -0.566039D+01  0.128554D+01
      6   0.256108D+01  0.165114D+01 -0.138491D+02 -0.528444D+01  0.683299D+01
                46            47            48            49            50 
      1  -0.567152D+01  0.108209D+02 -0.140960D+02 -0.230877D+02  0.223122D+01
      2   0.101841D+02 -0.609281D+01  0.910342D+01  0.809978D+01  0.371832D+01
      3  -0.451255D+01 -0.472813D+01  0.499263D+01  0.149879D+02 -0.594954D+01
      4   0.685955D+01  0.677708D+01 -0.503039D+00  0.127450D+02 -0.455585D+01
      5  -0.130009D+02  0.148512D+01 -0.868811D+01 -0.751563D+01 -0.524258D+00
      6   0.122105D+01  0.290422D+01 -0.493513D+01 -0.278211D+01  0.232259D+01
                51            52            53            54            55 
      1  -0.221151D+02  0.247939D+02 -0.601146D+01  0.116220D+01 -0.629695D+02
      2   0.661271D-01 -0.665687D+01 -0.971284D+00  0.808508D+00  0.231788D+02
      3   0.220490D+02 -0.181370D+02  0.698275D+01 -0.197071D+01  0.397908D+02
      4  -0.139068D-01  0.293182D+01 -0.137287D+01  0.552976D+01  0.767456D+01
      5   0.102195D+01  0.507339D+01  0.529130D+01 -0.591336D+01  0.466191D+01
      6   0.402426D+01  0.896361D+01  0.238474D+01  0.151917D+02  0.253033D-01
                56            57            58            59            60 
      1   0.112640D+02  0.406539D+01  0.454511D+02 -0.109558D+02 -0.585414D+01
      2  -0.817948D+01 -0.310876D-01 -0.336401D+02 -0.122834D+02  0.127377D+01
      3  -0.308451D+01 -0.403430D+01 -0.118110D+02  0.232393D+02  0.458037D+01
      4  -0.168876D+02 -0.254108D+01 -0.362476D+02 -0.430362D+02  0.155789D+01
      5  -0.246392D+01 -0.731561D+01 -0.662623D+01  0.299057D+01  0.536374D+01
      6  -0.184252D+01 -0.108789D+01 -0.401869D+01 -0.186800D+01  0.128273D+01
                61            62            63            64            65 
      1   0.428767D+02 -0.838055D+01 -0.137461D+01 -0.172641D+02 -0.351418D+02
      2  -0.127719D+02  0.566579D+01  0.133300D+02  0.149935D+02  0.147559D+02
      3  -0.301048D+02  0.271475D+01 -0.119554D+02  0.227061D+01  0.203859D+02
      4  -0.768084D+01  0.116521D+02  0.218755D+01 -0.384591D+02  0.163460D+02
      5  -0.201326D+02  0.237576D+01 -0.400500D+02 -0.132829D+02  0.377138D+01
      6  -0.203550D+01  0.219232D+00 -0.591056D+01  0.239104D+01  0.168975D+01
                66            67            68            69            70 
      1  -0.986608D+01 -0.796097D+02  0.286065D+02  0.791050D-01 -0.470845D+02
      2   0.715877D+01  0.407561D+02 -0.157433D+02 -0.118453D+00  0.196767D+02
      3   0.270731D+01  0.388535D+02 -0.128632D+02  0.393482D-01  0.274078D+02
      4   0.356217D+01  0.281513D+02  0.380837D+02 -0.532602D+01  0.590130D+01
      5   0.164164D+02  0.630785D+01 -0.660278D+01 -0.132437D+02  0.326815D+02
      6  -0.219174D+00 -0.149449D+01  0.277573D+01 -0.373827D+00 -0.153033D+01
                71            72            73            74            75 
      1   0.208173D+01  0.279008D+02  0.275874D+02  0.424799D+02  0.257789D+02
      2  -0.152194D+01 -0.669455D+01 -0.125096D+02 -0.241297D+02 -0.118635D+02
      3  -0.559793D+00 -0.212062D+02 -0.150778D+02 -0.183502D+02 -0.139155D+02
      4  -0.106134D+02 -0.143899D+02  0.435490D+02 -0.203110D+02 -0.763819D+01
      5  -0.138700D+02  0.605899D+02  0.289908D+02 -0.850688D+01 -0.309775D+02
      6   0.484257D+01  0.429765D+00 -0.222985D+00  0.139769D+01  0.414579D-01
                76            77            78            79            80 
      1   0.620025D+02 -0.306298D+02 -0.125617D+02  0.440702D+02 -0.109711D+02
      2  -0.368347D+02  0.635444D+01  0.800447D+01 -0.186102D+02  0.751535D+01
      3  -0.251678D+02  0.242754D+02  0.455726D+01 -0.254600D+02  0.345574D+01
      4  -0.391521D+02 -0.623272D+02  0.237592D+02 -0.100593D+02  0.246175D+02
      5  -0.124518D+02  0.263071D+02  0.176471D+02 -0.518602D+02  0.146240D+02
      6   0.384808D+01  0.379627D+01 -0.788094D+00  0.342557D+00 -0.140224D+01
                81            82            83            84            85 
      1  -0.415569D+02  0.383067D+02  0.296262D+02  0.201680D+02  0.348808D+02
      2   0.276302D+02 -0.303329D+02 -0.928230D+01 -0.790193D+01 -0.129107D+02
      3   0.139267D+02 -0.797388D+01 -0.203439D+02 -0.122661D+02 -0.219701D+02
      4   0.147519D+02  0.272120D+02 -0.268316D+02 -0.139506D+02 -0.309801D+02
      5  -0.538363D+02  0.202283D+02 -0.100432D+02 -0.149400D+02 -0.962866D+01
      6  -0.283469D+01 -0.131308D+02  0.330997D+01  0.816051D+01  0.542971D+01
                86            87            88            89            90 
      1  -0.274618D+02 -0.343782D+01  0.285764D+02 -0.720849D+01 -0.971870D+01
      2   0.206312D+02 -0.395201D+01 -0.837455D+01 -0.304942D+01  0.354706D+01
      3   0.683063D+01  0.738983D+01 -0.202018D+02  0.102579D+02  0.617163D+01
      4  -0.123844D+02  0.126581D+02 -0.159540D+02  0.215711D+02  0.302265D+02
      5   0.123014D+02  0.186865D+02 -0.245497D+02  0.259653D+02 -0.365775D+02
      6  -0.972072D+01 -0.862460D+01  0.117085D+02 -0.131683D+02  0.168031D+02
                91            92            93            94            95 
      1   0.218072D+01  0.164808D+02  0.907728D+01  0.218387D+02 -0.231244D+01
      2  -0.191546D+01 -0.121593D+02 -0.167376D+01 -0.213302D+02 -0.371043D+01
      3  -0.265262D+00 -0.432154D+01 -0.740351D+01 -0.508520D+00  0.602287D+01
      4   0.133379D+02 -0.991652D+01 -0.316263D+01 -0.343687D+02 -0.212087D+02
      5   0.638118D+01 -0.327353D+01 -0.725241D+01 -0.193087D+02 -0.166638D+02
      6  -0.661466D+00 -0.456221D+01 -0.169947D+01 -0.115814D+02 -0.963245D+01
                96            97            98            99           100 
      1  -0.773362D+01  0.265531D+02 -0.100339D+02 -0.962561D+01 -0.107481D+02
      2  -0.618890D+01 -0.104420D+02 -0.452402D+01  0.133124D+02  0.600515D+01
      3   0.139225D+02 -0.161112D+02  0.145580D+02 -0.368680D+01  0.474300D+01
      4  -0.158652D+02 -0.178035D+02 -0.540528D+01  0.204267D+02 -0.110336D+02
      5   0.145546D+02 -0.220284D+02  0.207094D+02 -0.157964D+02  0.142555D+02
      6  -0.859196D+01  0.239127D+01 -0.185361D+01  0.587324D+01  0.270012D+01
               101           102           103           104           105 
      1  -0.122354D+02  0.300800D+01 -0.245613D+02  0.384288D+01  0.228728D+02
      2   0.114523D+02 -0.715060D+01  0.236686D+02 -0.116944D+02 -0.201403D+02
      3   0.783048D+00  0.414260D+01  0.892691D+00  0.785156D+01 -0.273248D+01
      4  -0.543168D+01  0.125634D+02 -0.374091D+01  0.656018D+01 -0.432799D+01
      5   0.131989D+02 -0.252461D+01  0.387928D+02 -0.415489D+01 -0.288484D+02
      6   0.352671D+01 -0.153797D+01 -0.303695D+01  0.541424D+01 -0.686243D+00
               106           107           108           109           110 
      1   0.290311D+02  0.162329D+02 -0.210563D+01  0.516506D+02  0.167611D+02
      2  -0.189066D+02 -0.950462D+01  0.100265D+02 -0.319971D+02 -0.100688D+02
      3  -0.101245D+02 -0.672828D+01 -0.792090D+01 -0.196534D+02 -0.669235D+01
      4   0.214041D+02  0.137079D+02 -0.230031D+02  0.203613D+02  0.199499D+02
      5  -0.122756D+02 -0.225756D+02  0.287108D+02 -0.364200D+02 -0.113202D+02
      6  -0.424775D+01 -0.412618D+01  0.423654D+01 -0.455283D+01 -0.421662D+01
               111           112           113           114           115 
      1  -0.244911D+02  0.364364D+02  0.656125D+01 -0.110148D+02 -0.490435D+02
      2   0.178879D+02 -0.206784D+02 -0.231211D+01  0.117404D+02  0.320821D+02
      3   0.660320D+01 -0.157580D+02 -0.424914D+01 -0.725574D+00  0.169615D+02
      4  -0.870179D+01  0.209600D+02  0.348643D+02 -0.155260D+02 -0.104415D+02
      5   0.236855D+02 -0.244519D+02 -0.161634D+02  0.258938D+02  0.460600D+02
      6   0.367905D+01 -0.449351D+01 -0.878735D+01  0.108391D+02  0.113156D+01
               116           117           118           119           120 
      1  -0.438196D+01  0.109535D+02  0.218442D+01 -0.443341D+01  0.160940D+02
      2   0.773993D+01 -0.298469D+02  0.109690D+01  0.144323D+01 -0.655180D+01
      3  -0.335797D+01  0.188933D+02 -0.328132D+01  0.299018D+01 -0.954218D+01
      4  -0.284463D+02  0.210312D+02  0.282613D+01 -0.577069D+01 -0.193770D+02
      5   0.208100D+02 -0.638424D+02  0.218885D+02 -0.158335D+02 -0.903211D+01
      6   0.123159D+02 -0.886575D+01 -0.905492D+01  0.759430D+01  0.477741D+01
               121           122           123           124           125 
      1  -0.112658D+02 -0.153040D+02 -0.148364D+02  0.308943D+02 -0.215909D+02
      2  -0.159618D+01  0.315666D+02  0.715552D+01 -0.105827D+02  0.512739D+01
      3   0.128620D+02 -0.162627D+02  0.768086D+01 -0.203117D+02  0.164635D+02
      4   0.129064D+02 -0.354948D+02  0.173335D+02 -0.367280D+02  0.341657D+02
      5  -0.194029D+02  0.191486D+02  0.618717D+01 -0.129885D+02  0.845057D+01
      6   0.670556D+01 -0.328028D+01  0.358097D+01  0.819749D+01  0.858639D+00
               126           127           128           129           130 
      1  -0.128075D+02  0.180609D+01 -0.361980D+01  0.190161D+01 -0.301666D+00
      2   0.563499D+01  0.545549D+00  0.499619D+01 -0.725350D+00  0.997357D+00
      3   0.717248D+01 -0.235164D+01 -0.137639D+01 -0.117626D+01 -0.695691D+00
      4   0.107858D+02  0.108880D+02  0.953457D+01 -0.714385D+01  0.858011D+01
      5   0.258208D+02 -0.128014D+02 -0.811951D+01  0.104466D+02 -0.105564D+02
      6  -0.103703D+02 -0.869020D+01 -0.764751D+01  0.777462D+01 -0.832672D+01
               131           132           133           134           135 
      1  -0.863087D+01  0.802324D+01  0.516417D+01  0.109348D+02 -0.131023D+02
      2   0.798655D+01 -0.320237D+01 -0.126341D+01 -0.675972D+01  0.205535D+01
      3   0.644317D+00 -0.482087D+01 -0.390076D+01 -0.417505D+01  0.110469D+02
      4   0.104111D+02 -0.739796D+01 -0.777597D+01 -0.776538D+01  0.833250D+01
      5  -0.895228D+01  0.102984D+02  0.110223D+02  0.947598D+01 -0.147254D+02
      6  -0.121640D+02  0.118041D+02  0.936309D+01  0.139285D+02 -0.159526D+02
               136           137           138           139           140 
      1  -0.309290D+01  0.200625D+01 -0.585763D+01  0.363474D+01 -0.790596D+01
      2  -0.326520D+01  0.333450D+00 -0.392436D+01  0.180126D+00  0.218825D+01
      3   0.635810D+01 -0.233970D+01  0.978199D+01 -0.381486D+01  0.571771D+01
      4  -0.487615D+01  0.397733D+01 -0.553165D+01  0.326778D+01 -0.364844D+01
      5   0.905780D+01 -0.392463D+01  0.113344D+02 -0.382500D+01  0.331365D+01
      6  -0.497791D+01  0.342547D+01 -0.532650D+01  0.380302D+01 -0.834724D+01
               141           142           143           144           145 
      1   0.129223D+02 -0.785499D+01  0.125135D+02 -0.282589D+02  0.377705D+01
      2   0.553228D+00 -0.209901D+01 -0.205384D+01 -0.621402D+01 -0.214854D+01
      3  -0.134755D+02  0.995400D+01 -0.104596D+02  0.344730D+02 -0.162851D+01
      4   0.437325D+01 -0.603087D+01  0.648234D+01 -0.976235D+01  0.510890D+01
      5  -0.476959D+01  0.104044D+02 -0.595785D+01  0.159603D+02 -0.955836D+01
      6   0.115456D+02 -0.791304D+01  0.131348D+02 -0.212611D+02 -0.363282D+01
               146           147           148           149           150 
      1  -0.159948D+01  0.114656D+01 -0.231565D+01 -0.547642D+01  0.608673D+01
      2   0.179092D+01  0.100032D+01  0.450471D+00  0.354050D+01 -0.610770D+00
      3  -0.191438D+00 -0.214688D+01  0.186518D+01  0.193592D+01 -0.547596D+01
      4   0.503184D+01 -0.299896D+01  0.487025D+01  0.556544D+01 -0.337180D+01
      5  -0.412217D+01  0.746856D+01 -0.669168D+01 -0.577345D+01  0.773987D+01
      6  -0.321005D+01  0.376449D+01 -0.419150D+01 -0.673076D+01  0.684093D+01
               151           152           153           154           155 
      1   0.313426D+01  0.699765D+01 -0.104356D+02 -0.113645D+01  0.293793D+00
      2   0.958168D+00 -0.296395D+01 -0.121638D+01 -0.420291D+01  0.123878D+01
      3  -0.409243D+01 -0.403370D+01  0.116520D+02  0.533936D+01 -0.153258D+01
      4  -0.405552D+01 -0.423739D+01  0.403833D+01 -0.353875D+01  0.283690D+01
      5   0.930719D+01  0.582170D+01 -0.116415D+02  0.761835D+01 -0.301526D+01
      6   0.545431D+01  0.802867D+01 -0.954498D+01 -0.203477D+01  0.198930D+01
               156           157           158           159           160 
      1  -0.378389D+01  0.321204D+01 -0.579830D+01  0.105164D+02 -0.289730D+01
      2  -0.488453D+01  0.774011D-01  0.618559D+00  0.204443D+01 -0.529068D+01
      3   0.866842D+01 -0.328945D+01  0.517974D+01 -0.125609D+02  0.818797D+01
      4  -0.339509D+01  0.246212D+01 -0.254925D+01  0.354120D+01 -0.479838D+01
      5   0.103018D+02 -0.288548D+01  0.314411D+01 -0.402769D+01  0.102912D+02
      6  -0.157422D+01  0.265409D+01 -0.516973D+01  0.669612D+01 -0.388415D+01
               161           162           163           164           165 
      1   0.736367D+01 -0.231607D+02  0.162199D+02  0.707786D+01 -0.198171D+01
      2   0.689606D+00 -0.102076D+02 -0.168702D+01  0.326336D+00  0.721750D+00
      3  -0.805328D+01  0.333684D+02 -0.145328D+02 -0.740420D+01  0.125996D+01
      4   0.498928D+01 -0.714214D+01  0.150288D+02  0.183518D+02  0.187948D+01
      5  -0.468366D+01  0.160005D+02 -0.151714D+01  0.231917D+01  0.348918D+01
      6   0.798977D+01 -0.113956D+02  0.974438D+00  0.159963D+01  0.801302D+00
               166           167           168           169           170 
      1   0.130273D+02 -0.107315D+02 -0.180913D+00 -0.167637D+02  0.397715D+00
      2   0.437379D+01  0.331159D+02  0.511445D+00  0.522546D+01 -0.322062D+01
      3  -0.174011D+02 -0.223844D+02 -0.330532D+00  0.115382D+02  0.282290D+01
      4   0.303354D+02  0.574038D+02  0.321846D+01 -0.358814D+01 -0.753188D+01
      5   0.363392D+01  0.194355D+01  0.526574D+01  0.531972D+01  0.597953D+01
      6   0.332489D+01  0.711149D+01  0.527185D+01  0.197924D+01  0.556965D+01
               171           172           173           174           175 
      1  -0.163685D+01  0.722294D+01 -0.227050D+01  0.582924D+01 -0.115246D+02
      2   0.132503D+01 -0.795511D+01  0.135822D+01 -0.553552D+01  0.686221D+01
      3   0.311816D+00  0.732175D+00  0.912276D+00 -0.293720D+00  0.466243D+01
      4   0.605377D+01 -0.124884D+01  0.462705D+01  0.240648D+01  0.487794D+01
      5   0.175675D+01  0.110515D+02  0.165215D+01  0.137500D+02 -0.215062D+01
      6   0.176492D+00  0.100185D+01  0.119791D+01  0.158864D+01  0.106172D+01
               176           177           178           179           180 
      1  -0.584738D+00 -0.620539D+00  0.112191D+02 -0.235404D+01 -0.120084D+02
      2   0.492898D+00  0.235248D+01 -0.120645D+02  0.619704D+00 -0.153180D+02
      3   0.918396D-01 -0.173194D+01  0.845359D+00  0.173434D+01  0.273264D+02
      4   0.254984D+01  0.475286D+01  0.320833D+01  0.668068D+01  0.501486D+01
      5   0.488735D+01 -0.546521D+01  0.189757D+02  0.487964D+01  0.454215D+02
      6   0.582038D+00  0.411956D+01  0.364356D+01  0.552160D+01  0.108885D+02
               181           182           183           184           185 
      1  -0.428601D+01  0.700636D+01 -0.950110D+01  0.145119D+02 -0.795180D+01
      2  -0.130428D+01 -0.296656D+01  0.308792D+01 -0.717209D+01  0.340407D+01
      3   0.559029D+01 -0.403981D+01  0.641319D+01 -0.733977D+01  0.454773D+01
      4   0.750432D+01 -0.184965D+01 -0.798079D+00 -0.404705D+00 -0.816152D+00
      5  -0.713780D+01 -0.797747D+00 -0.101511D+01  0.730137D+00 -0.693258D+01
      6  -0.280253D+00  0.115281D-01 -0.346109D-01  0.401127D+00 -0.191784D+01
               186           187           188           189           190 
      1   0.174129D+01 -0.179578D+02  0.535033D-01 -0.207201D+02  0.123315D+02
      2   0.288381D+00  0.866422D+01  0.245252D+01 -0.894726D+01 -0.331554D+01
      3  -0.202968D+01  0.929360D+01 -0.250602D+01  0.296674D+02 -0.901593D+01
      4  -0.664169D+01 -0.930627D+00 -0.927572D+01  0.695632D+01  0.160264D+02
      5   0.700690D+01  0.114978D+01  0.682209D+01 -0.561911D+02 -0.613873D+01
      6   0.667126D+01 -0.170042D+00  0.345469D+01 -0.165158D+01 -0.125989D+01
               191           192           193           194           195 
      1   0.145883D+02 -0.580674D+01  0.339766D+02  0.214422D+02 -0.110600D+01
      2  -0.500555D+01  0.258449D+01 -0.113793D+02  0.685834D+01 -0.999735D+00
      3  -0.958271D+01  0.322225D+01 -0.225973D+02 -0.283006D+02  0.210573D+01
      4   0.198263D+02 -0.233755D+01  0.436163D+02  0.895098D+02 -0.127492D+02
      5  -0.238680D+01  0.624026D+01 -0.507198D+01 -0.142926D+02  0.131802D+02
      6  -0.599871D+00  0.520382D+00 -0.236485D+01 -0.482641D+01  0.565637D+01
               196           197           198           199           200 
      1  -0.124317D+02 -0.170941D+01  0.788406D+01  0.216019D+02 -0.424995D+01
      2   0.571554D+01 -0.689196D+00 -0.404217D+01 -0.141265D+02  0.268511D+01
      3   0.671615D+01  0.239860D+01 -0.384190D+01 -0.747546D+01  0.156484D+01
      4  -0.600576D+01 -0.162819D+02  0.106848D+02 -0.386622D+01  0.560291D+01
      5   0.141121D+02  0.115367D+02 -0.307546D+01  0.175738D+02  0.174363D+00
      6   0.246179D+01  0.624799D+01 -0.260135D+01  0.486052D+00  0.589472D-01
               201           202           203           204           205 
      1   0.159410D+02 -0.129717D+02  0.676627D+01 -0.131021D+01  0.408376D+02
      2  -0.100490D+02  0.770725D+01 -0.300355D+01  0.142655D+01 -0.261486D+02
      3  -0.589203D+01  0.526444D+01 -0.376272D+01 -0.116337D+00 -0.146889D+02
      4   0.366234D+00  0.119213D+02  0.292195D+01  0.755691D+01  0.275379D+01
      5   0.219290D+02 -0.306315D+01  0.709865D+01 -0.817002D+01  0.435409D+02
      6   0.907350D+00  0.166868D+01 -0.947604D+00  0.398963D+01  0.110190D+01
               206           207           208           209           210 
      1   0.282433D+01  0.258079D+02  0.942854D+02 -0.261041D+02 -0.298547D+02
      2  -0.102033D+01 -0.265305D+02 -0.493702D+02  0.136019D+02  0.163825D+02
      3  -0.180401D+01  0.722615D+00 -0.449152D+02  0.125022D+02  0.134723D+02
      4   0.126761D+02 -0.317245D+01 -0.269454D+02  0.199682D+02  0.923449D+01
      5  -0.230970D+01  0.759673D+02 -0.342597D+02  0.995746D+01  0.247838D+02
      6   0.405152D+01  0.316382D+01  0.153338D+01 -0.961487D+00 -0.447483D+00
               211           212           213           214           215 
      1  -0.588089D+02  0.232833D+02  0.135594D+02 -0.559905D+02  0.107607D+02
      2   0.300493D+02 -0.933855D+01 -0.762834D+01  0.309614D+02 -0.658439D+01
      3   0.287595D+02 -0.139447D+02 -0.593104D+01  0.250291D+02 -0.417634D+01
      4   0.309195D+02 -0.183997D+02 -0.141088D+02  0.129274D+02 -0.172844D+02
      5   0.177537D+02 -0.145774D+02 -0.169714D+02  0.386086D+02 -0.127279D+02
      6  -0.276281D+01  0.223390D+01  0.252616D+01 -0.176430D+01  0.286867D+01
               216           217           218           219           220 
      1   0.281356D+02  0.326974D+02 -0.183335D+02 -0.123745D+02 -0.154819D+02
      2  -0.189511D+02 -0.783637D+01 -0.100060D+01  0.396095D+01 -0.212411D+01
      3  -0.918447D+01 -0.248611D+02  0.193341D+02  0.841351D+01  0.176060D+02
      4  -0.121362D+02 -0.395971D+02  0.378294D+02  0.146828D+02  0.354328D+02
      5  -0.236197D+02 -0.183909D+02  0.116919D+02  0.150700D+02  0.114441D+02
      6   0.229550D+01  0.912034D+01 -0.682116D+01 -0.808956D+01 -0.746782D+01
               221           222           223           224           225 
      1   0.995662D+01  0.327574D+01 -0.192761D+02  0.516937D+01  0.756365D+01
      2   0.105831D+02  0.373383D+01  0.649799D+01  0.475108D+01 -0.250862D+01
      3  -0.205397D+02 -0.700957D+01  0.127781D+02 -0.992046D+01 -0.505503D+01
      4  -0.412406D+02 -0.170124D+02  0.231937D+02 -0.277330D+02 -0.209114D+02
      5  -0.157733D+02 -0.126446D+02  0.201213D+02 -0.184021D+02 -0.167981D+02
      6   0.111158D+02  0.930378D+01 -0.103108D+02  0.120668D+02  0.970743D+01
               226           227           228           229           230 
      1   0.289104D+01 -0.569019D+01  0.653685D+01 -0.289628D+01 -0.120432D+01
      2  -0.989311D+00  0.117708D+01 -0.406421D+01 -0.322530D+00  0.312435D+01
      3  -0.190172D+01  0.451311D+01 -0.247264D+01  0.321881D+01 -0.192004D+01
      4  -0.896545D+01  0.995363D+01 -0.470288D+01  0.804649D+01 -0.984133D+01
      5   0.845548D+01 -0.310384D+01  0.117963D+02 -0.177226D+01  0.832769D+01
      6  -0.302852D+01  0.131375D+01 -0.417108D+01  0.199551D+01 -0.576141D+01
               231           232           233           234           235 
      1   0.347565D+01  0.113040D+02  0.562995D+01 -0.438666D+01 -0.554382D+02
      2  -0.402413D+01 -0.650508D+01 -0.667952D+01 -0.463438D+01  0.314979D+02
      3   0.548482D+00 -0.479889D+01  0.104957D+01  0.902105D+01  0.239403D+02
      4   0.865720D+01 -0.996367D+01  0.195866D+02 -0.213265D+02  0.835539D+01
      5  -0.895289D+01  0.160282D+02 -0.187204D+02  0.486517D+02 -0.499349D+01
      6   0.100709D+02 -0.702521D+01  0.136191D+02 -0.258812D+02  0.455923D+01
               236           237           238           239           240 
      1  -0.205837D+02 -0.956475D+01 -0.148840D+02 -0.147640D+02 -0.306511D+01
      2   0.180421D+02  0.537444D+01  0.126238D+02  0.138331D+02  0.316395D+01
      3   0.254161D+01  0.419031D+01  0.226021D+01  0.930891D+00 -0.988393D-01
      4  -0.819403D+01  0.194177D+01  0.773226D+00 -0.253406D+01 -0.181584D+01
      5  -0.629119D+00 -0.250462D+01 -0.656830D+00 -0.253798D+01 -0.287249D+01
      6   0.230305D+01  0.374253D+01  0.133038D+01  0.229243D+01  0.348221D+01
               241           242           243           244           245 
      1  -0.101497D+02 -0.457588D+01 -0.713752D+01  0.125930D+01 -0.572362D+01
      2   0.476042D+01  0.408825D+01  0.362431D+01 -0.575175D+01  0.422881D+01
      3   0.538926D+01  0.487629D+00  0.351321D+01  0.449245D+01  0.149481D+01
      4   0.208614D+01 -0.455962D+01 -0.439802D+01 -0.696868D+01  0.537421D+01
      5   0.691916D+00 -0.532180D+01  0.104729D+01  0.114883D+02 -0.309501D+01
      6   0.232447D+01  0.496309D+01  0.863977D+00 -0.367064D+01  0.121149D+01
               246           247           248           249           250 
      1   0.508614D+01 -0.811743D+01 -0.828134D+00  0.364099D+01  0.528929D+01
      2  -0.548396D+01  0.553390D+01 -0.212218D+01  0.334824D+01 -0.799674D+01
      3   0.397819D+00  0.258353D+01  0.295031D+01 -0.698923D+01  0.270745D+01
      4  -0.267917D+01  0.822179D+01 -0.954322D+01  0.974904D+01 -0.310814D+01
      5   0.124320D+02 -0.441426D+01  0.102469D+02 -0.139878D+02  0.177891D+02
      6  -0.108603D+01  0.310892D+01 -0.585593D+01  0.763402D+01 -0.203059D+01
               251           252           253           254           255 
      1   0.156320D+01 -0.571947D+01 -0.428884D+02 -0.351445D+02 -0.346899D+02
      2   0.524270D+01 -0.152162D+02  0.215194D+02  0.192932D+02  0.127363D+02
      3  -0.680590D+01  0.209357D+02  0.213690D+02  0.158513D+02  0.219536D+02
      4   0.116701D+02 -0.109684D+02 -0.466166D+02 -0.679618D+01 -0.118053D+02
      5  -0.108346D+02  0.359577D+02 -0.417497D+02 -0.795890D+01  0.146823D+01
      6   0.681977D+01 -0.645861D+01 -0.208376D+02  0.217602D+01  0.932541D+01
               256           257           258           259           260 
      1  -0.198092D+02 -0.118446D+01 -0.116328D+01 -0.320409D+02  0.437824D+00
      2   0.200678D+02  0.115330D+02  0.142659D+02  0.127021D+02  0.130073D+02
      3  -0.258518D+00 -0.103485D+02 -0.131026D+02  0.193388D+02 -0.134451D+02
      4   0.137386D+02  0.254445D+02  0.149289D+02 -0.769585D+01  0.970936D+01
      5   0.777549D+00  0.158297D+02 -0.104653D+02  0.468863D+01 -0.171566D+02
      6   0.974720D+01  0.130861D+02 -0.658016D+01  0.762717D+01 -0.139239D+02
               261           262           263           264           265 
      1   0.231870D+02  0.335323D+02 -0.201276D+02 -0.153623D+02 -0.111787D+02
      2  -0.205209D+02 -0.136756D+02  0.639653D+01  0.688978D+01  0.113490D+01
      3  -0.266607D+01 -0.198567D+02  0.137310D+02  0.847248D+01  0.100438D+02
      4  -0.106914D+02 -0.333551D+02  0.275272D+02  0.152940D+02  0.224818D+02
      5   0.601535D+01 -0.209476D+02  0.137139D+02  0.164849D+02  0.968924D+01
      6  -0.411249D+01  0.875600D+01 -0.629135D+01 -0.583914D+01 -0.510965D+01
               266           267           268           269           270 
      1   0.822840D+01  0.394744D+01 -0.256080D+02  0.152172D+02  0.148864D+02
      2   0.308611D+01  0.354249D+00  0.120358D+02 -0.449967D+01 -0.838375D+01
      3  -0.113145D+02 -0.430169D+01  0.135722D+02 -0.107175D+02 -0.650266D+01
      4  -0.292896D+02 -0.119008D+02  0.326317D+02 -0.327481D+02 -0.257608D+02
      5  -0.108132D+02 -0.103881D+02  0.297090D+02 -0.235826D+02 -0.286473D+02
      6   0.755348D+01  0.589526D+01 -0.124525D+02  0.125945D+02  0.131922D+02
               271           272           273           274           275 
      1  -0.128893D+02  0.181479D+02  0.205570D+02  0.821936D+01 -0.154813D+02
      2   0.526929D+01 -0.126297D+02 -0.708255D+01 -0.617343D+01  0.119192D+02
      3   0.762001D+01 -0.551821D+01 -0.134745D+02 -0.204593D+01  0.356211D+01
      4  -0.614013D+00 -0.332924D+01  0.104824D+01  0.137415D+01  0.262278D+01
      5   0.350705D+01 -0.263031D+01 -0.468500D+01  0.186263D+00  0.300069D+01
      6   0.890111D+01 -0.106241D+02 -0.130204D+02 -0.483494D+01  0.112314D+02
               276           277           278           279           280 
      1  -0.111560D+02  0.163932D+02 -0.169247D+02 -0.280893D+02  0.177071D+01
      2   0.667316D+01 -0.584649D+01  0.842681D+01  0.615256D+01  0.135129D+01
      3   0.448289D+01 -0.105467D+02  0.849788D+01  0.219368D+02 -0.312200D+01
      4   0.248744D+01  0.544881D+01  0.742664D+01  0.628218D+01  0.510592D+01
      5   0.556182D+01  0.111366D+01  0.110611D+02  0.155972D+02 -0.144344D+00
      6   0.124310D+02 -0.578268D+01  0.178333D+02  0.228061D+02 -0.880535D+00
               281           282           283           284           285 
      1   0.875941D+01 -0.737555D+00  0.612243D+01 -0.118044D+02  0.479321D+01
      2  -0.723628D+01  0.158609D+01 -0.306787D+01  0.218417D+02 -0.120798D+02
      3  -0.152312D+01 -0.848538D+00 -0.305456D+01 -0.100372D+02  0.728663D+01
      4   0.163094D+01 -0.324276D+00  0.508445D+01  0.148604D+02 -0.831528D+01
      5   0.166166D+01 -0.914781D+00  0.513039D+00 -0.102294D+02  0.101387D+02
      6  -0.529150D-01 -0.277945D+01 -0.481745D+00 -0.699767D+01  0.919234D+01
               286           287           288           289           290 
      1  -0.566057D+01  0.906747D+01 -0.863686D+01  0.790607D+02  0.198489D+02
      2   0.194780D+01 -0.195034D+02  0.125559D+02 -0.359398D+02 -0.270327D+01
      3   0.371276D+01  0.104360D+02 -0.391901D+01 -0.431209D+02 -0.171456D+02
      4  -0.666991D+01 -0.187644D+02  0.707996D+01  0.585993D+02  0.321045D+02
      5  -0.102207D+01  0.967418D+01 -0.179008D+02  0.438452D+02  0.154737D+02
      6  -0.204038D+01  0.803369D+01 -0.130662D+02  0.174165D+02  0.101797D+02
               291           292           293           294           295 
      1   0.180598D+02  0.906693D+01  0.845731D+01  0.171681D+01  0.154244D+02
      2  -0.107036D+02  0.119998D+01  0.101516D+00 -0.477007D+00 -0.104743D+02
      3  -0.735619D+01 -0.102669D+02 -0.855882D+01 -0.123981D+01 -0.495012D+01
      4   0.166786D+02  0.216635D+02  0.142254D+02  0.518699D+01  0.145803D+02
      5   0.217244D+02  0.718250D+01  0.627853D+01  0.504350D+01  0.226927D+02
      6   0.926914D+01  0.620049D+01  0.426883D+01  0.509385D+01  0.877066D+01
               296           297 
      1   0.263968D+01  0.698116D+01
      2  -0.201376D+01 -0.513998D+01
      3  -0.625917D+00 -0.184118D+01
      4   0.774321D+01  0.111074D+02
      5   0.101162D+02  0.144515D+02
      6   0.756398D+01  0.725788D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Sep 27 11:17:41 2021, MaxMem=  6442450944 cpu:           43180.8 elap:            5398.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.19692 -19.14116 -10.32748 -10.21399 -10.20291
 Alpha  occ. eigenvalues --  -10.19643 -10.19254 -10.19229 -10.19016 -10.19001
 Alpha  occ. eigenvalues --  -10.18931 -10.18639 -10.18524 -10.17661 -10.17290
 Alpha  occ. eigenvalues --   -1.10902  -1.01854  -0.86727  -0.82189  -0.79700
 Alpha  occ. eigenvalues --   -0.74622  -0.74314  -0.68417  -0.68132  -0.67090
 Alpha  occ. eigenvalues --   -0.61628  -0.60420  -0.57512  -0.56070  -0.52019
 Alpha  occ. eigenvalues --   -0.50803  -0.49041  -0.48106  -0.46497  -0.45471
 Alpha  occ. eigenvalues --   -0.44920  -0.44471  -0.43435  -0.42670  -0.42176
 Alpha  occ. eigenvalues --   -0.41448  -0.39535  -0.38855  -0.38418  -0.37345
 Alpha  occ. eigenvalues --   -0.36867  -0.36731  -0.35454  -0.34546  -0.33742
 Alpha  occ. eigenvalues --   -0.33636  -0.33113  -0.32762  -0.29236  -0.26237
 Alpha  occ. eigenvalues --   -0.24718
 Alpha virt. eigenvalues --   -0.02618  -0.02091   0.00209   0.00854   0.01743
 Alpha virt. eigenvalues --    0.02883   0.03522   0.04244   0.04932   0.05428
 Alpha virt. eigenvalues --    0.06396   0.06929   0.07892   0.08379   0.08835
 Alpha virt. eigenvalues --    0.09031   0.09586   0.09984   0.10592   0.11305
 Alpha virt. eigenvalues --    0.11647   0.12312   0.13005   0.13080   0.13338
 Alpha virt. eigenvalues --    0.13459   0.13921   0.14346   0.14697   0.15070
 Alpha virt. eigenvalues --    0.15392   0.16202   0.16492   0.17439   0.17796
 Alpha virt. eigenvalues --    0.18130   0.18587   0.18661   0.19538   0.19779
 Alpha virt. eigenvalues --    0.21259   0.21596   0.21720   0.22271   0.22891
 Alpha virt. eigenvalues --    0.23263   0.23918   0.24309   0.24688   0.24989
 Alpha virt. eigenvalues --    0.25849   0.26059   0.26854   0.27025   0.27597
 Alpha virt. eigenvalues --    0.28050   0.28787   0.28813   0.29342   0.30258
 Alpha virt. eigenvalues --    0.30299   0.30769   0.31035   0.31580   0.31795
 Alpha virt. eigenvalues --    0.32034   0.32179   0.32537   0.33036   0.33338
 Alpha virt. eigenvalues --    0.33713   0.34073   0.34382   0.34790   0.35192
 Alpha virt. eigenvalues --    0.35441   0.35632   0.35845   0.36379   0.36638
 Alpha virt. eigenvalues --    0.36836   0.37419   0.37684   0.37825   0.38120
 Alpha virt. eigenvalues --    0.38478   0.38781   0.39074   0.39348   0.39739
 Alpha virt. eigenvalues --    0.40026   0.40312   0.40806   0.41225   0.41594
 Alpha virt. eigenvalues --    0.42202   0.42628   0.43158   0.43430   0.43712
 Alpha virt. eigenvalues --    0.44125   0.44465   0.44653   0.45301   0.45686
 Alpha virt. eigenvalues --    0.45990   0.46303   0.46504   0.46674   0.47209
 Alpha virt. eigenvalues --    0.47447   0.48120   0.48385   0.49260   0.49554
 Alpha virt. eigenvalues --    0.49782   0.50203   0.50785   0.50854   0.51310
 Alpha virt. eigenvalues --    0.51688   0.52272   0.52534   0.53276   0.53698
 Alpha virt. eigenvalues --    0.53980   0.54480   0.54939   0.54955   0.55411
 Alpha virt. eigenvalues --    0.55898   0.56095   0.56769   0.57283   0.58079
 Alpha virt. eigenvalues --    0.58265   0.58495   0.59134   0.59349   0.59915
 Alpha virt. eigenvalues --    0.60442   0.60725   0.61057   0.61787   0.62595
 Alpha virt. eigenvalues --    0.63053   0.63529   0.63878   0.64169   0.64298
 Alpha virt. eigenvalues --    0.64880   0.65176   0.66610   0.66959   0.67669
 Alpha virt. eigenvalues --    0.68041   0.68377   0.69466   0.69711   0.70029
 Alpha virt. eigenvalues --    0.71251   0.71591   0.72169   0.72799   0.73700
 Alpha virt. eigenvalues --    0.73841   0.74406   0.74857   0.75215   0.75805
 Alpha virt. eigenvalues --    0.76558   0.77859   0.78021   0.79298   0.79514
 Alpha virt. eigenvalues --    0.80491   0.82393   0.82740   0.83039   0.83846
 Alpha virt. eigenvalues --    0.84292   0.84922   0.86162   0.86680   0.88192
 Alpha virt. eigenvalues --    0.89053   0.89494   0.90609   0.91775   0.92607
 Alpha virt. eigenvalues --    0.93354   0.94233   0.95091   0.97149   0.97482
 Alpha virt. eigenvalues --    0.98537   0.98919   0.99053   1.00596   1.00766
 Alpha virt. eigenvalues --    1.01319   1.02308   1.02620   1.03157   1.03310
 Alpha virt. eigenvalues --    1.04743   1.05254   1.05457   1.06072   1.06302
 Alpha virt. eigenvalues --    1.07992   1.08667   1.08886   1.09574   1.11408
 Alpha virt. eigenvalues --    1.13019   1.15484   1.16349   1.16810   1.18267
 Alpha virt. eigenvalues --    1.19507   1.19727   1.20089   1.20624   1.21770
 Alpha virt. eigenvalues --    1.23610   1.24095   1.24670   1.25560   1.27440
 Alpha virt. eigenvalues --    1.28151   1.29231   1.29421   1.30970   1.31854
 Alpha virt. eigenvalues --    1.32959   1.33167   1.34196   1.35457   1.36126
 Alpha virt. eigenvalues --    1.37287   1.38934   1.39561   1.40247   1.41952
 Alpha virt. eigenvalues --    1.43757   1.44528   1.46202   1.46402   1.47479
 Alpha virt. eigenvalues --    1.49840   1.51729   1.51966   1.54293   1.54761
 Alpha virt. eigenvalues --    1.57296   1.59240   1.59919   1.60165   1.61556
 Alpha virt. eigenvalues --    1.63856   1.64760   1.66173   1.66695   1.67756
 Alpha virt. eigenvalues --    1.68559   1.69998   1.71456   1.73121   1.73948
 Alpha virt. eigenvalues --    1.74365   1.75381   1.76308   1.77088   1.78125
 Alpha virt. eigenvalues --    1.79476   1.80934   1.81413   1.82697   1.84178
 Alpha virt. eigenvalues --    1.84952   1.85639   1.86153   1.87149   1.88489
 Alpha virt. eigenvalues --    1.89494   1.89824   1.90638   1.91014   1.92526
 Alpha virt. eigenvalues --    1.93951   1.94407   1.95782   1.96033   1.96411
 Alpha virt. eigenvalues --    1.98109   2.00439   2.01337   2.01927   2.02376
 Alpha virt. eigenvalues --    2.03094   2.05074   2.05645   2.06355   2.07700
 Alpha virt. eigenvalues --    2.08340   2.09004   2.09910   2.10359   2.11575
 Alpha virt. eigenvalues --    2.12505   2.13090   2.13788   2.15662   2.16791
 Alpha virt. eigenvalues --    2.17112   2.19107   2.19776   2.20684   2.21119
 Alpha virt. eigenvalues --    2.22862   2.23427   2.24159   2.25777   2.27528
 Alpha virt. eigenvalues --    2.27983   2.30514   2.31301   2.31830   2.34889
 Alpha virt. eigenvalues --    2.36454   2.37652   2.39787   2.41448   2.42785
 Alpha virt. eigenvalues --    2.43277   2.44060   2.45742   2.46964   2.47770
 Alpha virt. eigenvalues --    2.51313   2.52348   2.53305   2.55848   2.56481
 Alpha virt. eigenvalues --    2.56891   2.60031   2.60814   2.62193   2.64161
 Alpha virt. eigenvalues --    2.65517   2.66790   2.67317   2.69006   2.69230
 Alpha virt. eigenvalues --    2.69871   2.71995   2.73211   2.73743   2.80900
 Alpha virt. eigenvalues --    2.84843   2.85885   2.86706   2.89516   2.93152
 Alpha virt. eigenvalues --    2.94161   2.94605   2.96256   2.99390   3.00420
 Alpha virt. eigenvalues --    3.01833   3.03457   3.04641   3.04803   3.06761
 Alpha virt. eigenvalues --    3.07653   3.10692   3.12974   3.14007   3.15620
 Alpha virt. eigenvalues --    3.16755   3.17376   3.18926   3.20937   3.22358
 Alpha virt. eigenvalues --    3.23558   3.26276   3.27831   3.36493   3.38765
 Alpha virt. eigenvalues --    3.62977   3.66639   3.82176   3.94989
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   10.015825  -2.073462  -1.759821   1.039216   0.228445   0.128744
     2  C   -2.073462  14.023880   0.824921  -0.911423   0.659908  -1.449917
     3  C   -1.759821   0.824921  10.620155  -1.936971  -0.097036   0.264623
     4  C    1.039216  -0.911423  -1.936971  14.213318  -1.886020   0.646444
     5  C    0.228445   0.659908  -0.097036  -1.886020   9.933013  -1.524133
     6  C    0.128744  -1.449917   0.264623   0.646444  -1.524133   9.386959
     7  C   -1.311046   0.279686   0.035834   0.191332  -0.003448  -1.231768
     8  C    0.032096   0.011606   0.004363  -0.000330  -0.005250   0.013322
     9  C   -0.002101  -0.025640  -0.001468  -0.000054   0.000456  -0.015110
    10  C   -0.009053  -0.071833   0.004472  -0.005373  -0.006074   0.040305
    11  C    0.027403   0.155674  -1.346846   0.515087  -1.123611  -0.002601
    12  C   -0.008859   0.024290  -0.131692   0.013774  -0.213573   0.003730
    13  O    0.002206  -0.003541   0.022208  -0.036825   0.023485   0.007592
    14  O    0.001033  -0.001532   0.000695  -0.006291  -0.002229   0.001184
    15  H    0.716127  -1.767745  -0.998171  -0.052382   0.203044   0.065027
    16  H   -0.815812  -0.108194   0.655273  -1.992257   0.124532   0.200305
    17  H    0.171032  -0.081483   0.075799  -1.976258   0.734665  -0.745972
    18  H    0.115688  -1.821123   0.186981  -0.010837  -0.960535   0.602710
    19  H    0.028368  -0.070822  -0.006616  -0.010400  -0.001201   0.121711
    20  H    0.059689  -0.156994   0.011144   0.011079   0.040578  -0.107108
    21  H   -0.113441  -0.025356   0.007047   0.000616   0.000415  -0.046626
    22  H    0.001680  -0.000426  -0.000337   0.000004   0.000093  -0.002832
    23  H   -0.002046   0.004607   0.000058  -0.000027  -0.000229   0.002905
    24  H    0.001291   0.005537  -0.000021  -0.000017  -0.000016   0.001376
    25  H   -0.011628   0.011881   0.000057   0.000712   0.002306  -0.014981
    26  H    0.000383  -0.033583  -0.000414   0.000326   0.000635   0.007620
    27  H    0.031209   0.017750   0.002816  -0.004646  -0.004300   0.018272
    28  H    0.022279  -0.001832  -0.072459  -0.250399   0.113028   0.019316
    29  C    0.005272   0.000686  -0.042171   0.045487  -0.064609  -0.013323
    30  H   -0.000268  -0.000131   0.000909   0.000999  -0.001417  -0.000415
    31  H   -0.004541  -0.001358   0.053221  -0.046111   0.007950   0.000118
    32  H   -0.000172   0.001335  -0.014022  -0.003999  -0.035907   0.009802
    33  H   -0.000124   0.000619  -0.017806  -0.028882  -0.000532  -0.001129
               7          8          9         10         11         12
     1  C   -1.311046   0.032096  -0.002101  -0.009053   0.027403  -0.008859
     2  C    0.279686   0.011606  -0.025640  -0.071833   0.155674   0.024290
     3  C    0.035834   0.004363  -0.001468   0.004472  -1.346846  -0.131692
     4  C    0.191332  -0.000330  -0.000054  -0.005373   0.515087   0.013774
     5  C   -0.003448  -0.005250   0.000456  -0.006074  -1.123611  -0.213573
     6  C   -1.231768   0.013322  -0.015110   0.040305  -0.002601   0.003730
     7  C    7.698956   0.085085  -0.010012  -0.053458  -0.003462  -0.000409
     8  C    0.085085   6.016412   0.328645   0.402133  -0.000817   0.000055
     9  C   -0.010012   0.328645   4.251388  -0.045884   0.000008  -0.000000
    10  C   -0.053458   0.402133  -0.045884   4.083295   0.000116   0.000009
    11  C   -0.003462  -0.000817   0.000008   0.000116   8.037585   0.401034
    12  C   -0.000409   0.000055  -0.000000   0.000009   0.401034   5.143717
    13  O    0.000007  -0.000005  -0.000000  -0.000007  -0.110776   0.129593
    14  O    0.000051   0.000026  -0.000000  -0.000002  -0.060226  -0.078002
    15  H   -0.595423   0.017807   0.004652  -0.000368   0.025322   0.002293
    16  H    0.021533   0.000666  -0.000109  -0.000464  -0.538139  -0.071193
    17  H    0.014811  -0.000439   0.000042  -0.001664  -0.422928  -0.047461
    18  H   -0.464116   0.003454  -0.004957   0.034071   0.003292   0.008344
    19  H   -0.052226   0.028692  -0.099174   0.020983  -0.000171   0.000042
    20  H    0.099274   0.061696   0.012764  -0.025678  -0.000071   0.000030
    21  H    0.125708  -0.004385  -0.056152   0.008030  -0.000066   0.000005
    22  H   -0.010433  -0.034949   0.385515   0.008388   0.000001  -0.000000
    23  H    0.000148   0.202200   0.036440  -0.011792  -0.000001   0.000000
    24  H    0.013413   0.173105   0.099823  -0.018762  -0.000001   0.000000
    25  H    0.070801   0.122761  -0.008945   0.087434   0.000031  -0.000003
    26  H   -0.041477   0.133890  -0.009434   0.137862   0.000051  -0.000004
    27  H   -0.154030   0.153961   0.007755   0.208690  -0.000222   0.000006
    28  H    0.000079  -0.000042  -0.000000   0.000008   0.069672  -0.186646
    29  C   -0.000217   0.000117  -0.000001  -0.000036   0.311544   0.023238
    30  H   -0.000002  -0.000000   0.000000   0.000000   0.024916   0.134369
    31  H    0.000042  -0.000005  -0.000000   0.000009   0.120027   0.015073
    32  H   -0.000040  -0.000000   0.000000   0.000007   0.134526  -0.000987
    33  H   -0.000006   0.000000   0.000000   0.000000   0.213257  -0.018375
              13         14         15         16         17         18
     1  C    0.002206   0.001033   0.716127  -0.815812   0.171032   0.115688
     2  C   -0.003541  -0.001532  -1.767745  -0.108194  -0.081483  -1.821123
     3  C    0.022208   0.000695  -0.998171   0.655273   0.075799   0.186981
     4  C   -0.036825  -0.006291  -0.052382  -1.992257  -1.976258  -0.010837
     5  C    0.023485  -0.002229   0.203044   0.124532   0.734665  -0.960535
     6  C    0.007592   0.001184   0.065027   0.200305  -0.745972   0.602710
     7  C    0.000007   0.000051  -0.595423   0.021533   0.014811  -0.464116
     8  C   -0.000005   0.000026   0.017807   0.000666  -0.000439   0.003454
     9  C   -0.000000  -0.000000   0.004652  -0.000109   0.000042  -0.004957
    10  C   -0.000007  -0.000002  -0.000368  -0.000464  -0.001664   0.034071
    11  C   -0.110776  -0.060226   0.025322  -0.538139  -0.422928   0.003292
    12  C    0.129593  -0.078002   0.002293  -0.071193  -0.047461   0.008344
    13  O    8.420442   0.028610  -0.000161   0.007785   0.024744  -0.001038
    14  O    0.028610   8.384003   0.000364  -0.008097   0.000937  -0.000285
    15  H   -0.000161   0.000364   4.078279  -1.108739  -0.025033   0.079662
    16  H    0.007785  -0.008097  -1.108739   3.847495   0.075333  -0.027829
    17  H    0.024744   0.000937  -0.025033   0.075333   3.698503  -1.037800
    18  H   -0.001038  -0.000285   0.079662  -0.027829  -1.037800   3.908899
    19  H   -0.000003  -0.000000   0.013329  -0.001946  -0.000534   0.022870
    20  H    0.000001  -0.000002   0.018869   0.000436   0.004026  -0.074711
    21  H    0.000000   0.000004  -0.089543   0.001503   0.000646  -0.013829
    22  H   -0.000000  -0.000000   0.002100  -0.000009  -0.000001  -0.000227
    23  H   -0.000000  -0.000000  -0.000644   0.000001  -0.000002   0.000802
    24  H   -0.000000   0.000000   0.000829  -0.000004  -0.000002   0.000242
    25  H    0.000000  -0.000000  -0.001702   0.000051   0.000136  -0.006179
    26  H    0.000001  -0.000000   0.000511  -0.000025   0.000180  -0.006525
    27  H    0.000002   0.000006   0.007583  -0.000298  -0.000063   0.014363
    28  H    0.006271  -0.076367  -0.001011   0.027152   0.019090  -0.000431
    29  C    0.006361   0.028993   0.001396  -0.049535   0.012517   0.000155
    30  H   -0.054647   0.119770  -0.000019   0.000537   0.000158   0.000001
    31  H    0.006565  -0.002268  -0.000941   0.022672  -0.008360   0.000239
    32  H    0.010124  -0.001176   0.000231  -0.003945  -0.019597   0.001626
    33  H   -0.002189   0.007074   0.000062  -0.006751   0.005456  -0.000059
              19         20         21         22         23         24
     1  C    0.028368   0.059689  -0.113441   0.001680  -0.002046   0.001291
     2  C   -0.070822  -0.156994  -0.025356  -0.000426   0.004607   0.005537
     3  C   -0.006616   0.011144   0.007047  -0.000337   0.000058  -0.000021
     4  C   -0.010400   0.011079   0.000616   0.000004  -0.000027  -0.000017
     5  C   -0.001201   0.040578   0.000415   0.000093  -0.000229  -0.000016
     6  C    0.121711  -0.107108  -0.046626  -0.002832   0.002905   0.001376
     7  C   -0.052226   0.099274   0.125708  -0.010433   0.000148   0.013413
     8  C    0.028692   0.061696  -0.004385  -0.034949   0.202200   0.173105
     9  C   -0.099174   0.012764  -0.056152   0.385515   0.036440   0.099823
    10  C    0.020983  -0.025678   0.008030   0.008388  -0.011792  -0.018762
    11  C   -0.000171  -0.000071  -0.000066   0.000001  -0.000001  -0.000001
    12  C    0.000042   0.000030   0.000005  -0.000000   0.000000   0.000000
    13  O   -0.000003   0.000001   0.000000  -0.000000  -0.000000  -0.000000
    14  O   -0.000000  -0.000002   0.000004  -0.000000  -0.000000   0.000000
    15  H    0.013329   0.018869  -0.089543   0.002100  -0.000644   0.000829
    16  H   -0.001946   0.000436   0.001503  -0.000009   0.000001  -0.000004
    17  H   -0.000534   0.004026   0.000646  -0.000001  -0.000002  -0.000002
    18  H    0.022870  -0.074711  -0.013829  -0.000227   0.000802   0.000242
    19  H    1.272963  -0.339393   0.103485  -0.036195   0.008449   0.015019
    20  H   -0.339393   1.269786  -0.034421   0.003018  -0.044729   0.000670
    21  H    0.103485  -0.034421   1.474451  -0.018390  -0.001262   0.032590
    22  H   -0.036195   0.003018  -0.018390   0.932537  -0.127356  -0.054420
    23  H    0.008449  -0.044729  -0.001262  -0.127356   0.911929  -0.013761
    24  H    0.015019   0.000670   0.032590  -0.054420  -0.013761   0.911784
    25  H   -0.003586  -0.000380   0.064820   0.012268  -0.026997   0.011582
    26  H   -0.010684   0.048679  -0.019477  -0.001664   0.014528  -0.015627
    27  H    0.001225  -0.012483  -0.045942  -0.004152   0.000891   0.005061
    28  H   -0.000008   0.000011   0.000007  -0.000000  -0.000000  -0.000000
    29  C    0.000014  -0.000036  -0.000002  -0.000000   0.000000   0.000000
    30  H    0.000000  -0.000000  -0.000000   0.000000   0.000000  -0.000000
    31  H    0.000001   0.000003   0.000008  -0.000000  -0.000000  -0.000000
    32  H   -0.000001  -0.000001  -0.000001   0.000000   0.000000   0.000000
    33  H   -0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
              25         26         27         28         29         30
     1  C   -0.011628   0.000383   0.031209   0.022279   0.005272  -0.000268
     2  C    0.011881  -0.033583   0.017750  -0.001832   0.000686  -0.000131
     3  C    0.000057  -0.000414   0.002816  -0.072459  -0.042171   0.000909
     4  C    0.000712   0.000326  -0.004646  -0.250399   0.045487   0.000999
     5  C    0.002306   0.000635  -0.004300   0.113028  -0.064609  -0.001417
     6  C   -0.014981   0.007620   0.018272   0.019316  -0.013323  -0.000415
     7  C    0.070801  -0.041477  -0.154030   0.000079  -0.000217  -0.000002
     8  C    0.122761   0.133890   0.153961  -0.000042   0.000117  -0.000000
     9  C   -0.008945  -0.009434   0.007755  -0.000000  -0.000001   0.000000
    10  C    0.087434   0.137862   0.208690   0.000008  -0.000036   0.000000
    11  C    0.000031   0.000051  -0.000222   0.069672   0.311544   0.024916
    12  C   -0.000003  -0.000004   0.000006  -0.186646   0.023238   0.134369
    13  O    0.000000   0.000001   0.000002   0.006271   0.006361  -0.054647
    14  O   -0.000000  -0.000000   0.000006  -0.076367   0.028993   0.119770
    15  H   -0.001702   0.000511   0.007583  -0.001011   0.001396  -0.000019
    16  H    0.000051  -0.000025  -0.000298   0.027152  -0.049535   0.000537
    17  H    0.000136   0.000180  -0.000063   0.019090   0.012517   0.000158
    18  H   -0.006179  -0.006525   0.014363  -0.000431   0.000155   0.000001
    19  H   -0.003586  -0.010684   0.001225  -0.000008   0.000014   0.000000
    20  H   -0.000380   0.048679  -0.012483   0.000011  -0.000036  -0.000000
    21  H    0.064820  -0.019477  -0.045942   0.000007  -0.000002  -0.000000
    22  H    0.012268  -0.001664  -0.004152  -0.000000  -0.000000   0.000000
    23  H   -0.026997   0.014528   0.000891  -0.000000   0.000000   0.000000
    24  H    0.011582  -0.015627   0.005061  -0.000000   0.000000  -0.000000
    25  H    1.118560  -0.079588  -0.148448  -0.000000  -0.000007   0.000000
    26  H   -0.079588   0.805935  -0.005026   0.000000  -0.000007  -0.000000
    27  H   -0.148448  -0.005026   1.004630   0.000005   0.000143  -0.000000
    28  H   -0.000000   0.000000   0.000005   1.548798  -0.264099  -0.004589
    29  C   -0.000007  -0.000007   0.000143  -0.264099   4.216907   0.001392
    30  H    0.000000  -0.000000  -0.000000  -0.004589   0.001392   0.632351
    31  H   -0.000001   0.000000   0.000028   0.028205   0.099258  -0.000198
    32  H   -0.000001   0.000001   0.000008  -0.007819   0.246812  -0.000018
    33  H    0.000000  -0.000000  -0.000002   0.018510   0.147250  -0.000160
              31         32         33
     1  C   -0.004541  -0.000172  -0.000124
     2  C   -0.001358   0.001335   0.000619
     3  C    0.053221  -0.014022  -0.017806
     4  C   -0.046111  -0.003999  -0.028882
     5  C    0.007950  -0.035907  -0.000532
     6  C    0.000118   0.009802  -0.001129
     7  C    0.000042  -0.000040  -0.000006
     8  C   -0.000005  -0.000000   0.000000
     9  C   -0.000000   0.000000   0.000000
    10  C    0.000009   0.000007   0.000000
    11  C    0.120027   0.134526   0.213257
    12  C    0.015073  -0.000987  -0.018375
    13  O    0.006565   0.010124  -0.002189
    14  O   -0.002268  -0.001176   0.007074
    15  H   -0.000941   0.000231   0.000062
    16  H    0.022672  -0.003945  -0.006751
    17  H   -0.008360  -0.019597   0.005456
    18  H    0.000239   0.001626  -0.000059
    19  H    0.000001  -0.000001  -0.000000
    20  H    0.000003  -0.000001   0.000000
    21  H    0.000008  -0.000001   0.000000
    22  H   -0.000000   0.000000   0.000000
    23  H   -0.000000   0.000000   0.000000
    24  H   -0.000000   0.000000   0.000000
    25  H   -0.000001  -0.000001   0.000000
    26  H    0.000000   0.000001  -0.000000
    27  H    0.000028   0.000008  -0.000002
    28  H    0.028205  -0.007819   0.018510
    29  C    0.099258   0.246812   0.147250
    30  H   -0.000198  -0.000018  -0.000160
    31  H    0.902349  -0.008464  -0.088815
    32  H   -0.008464   0.723854   0.007893
    33  H   -0.088815   0.007893   0.780283
 Mulliken charges:
               1
     1  C   -0.515612
     2  C   -1.415986
     3  C   -0.344726
     4  C   -1.518887
     5  C   -0.142432
     6  C   -0.386149
     7  C    1.294812
     8  C   -1.745869
     9  C    1.151551
    10  C    1.214635
    11  C   -0.429609
    12  C    0.857604
    13  O   -0.486805
    14  O   -0.336273
    15  H    0.404396
    16  H    0.748075
    17  H    0.529521
    18  H    0.447081
    19  H   -0.004190
    20  H    0.154255
    21  H   -0.350444
    22  H   -0.054213
    23  H    0.045887
    24  H   -0.169692
    25  H   -0.200954
    26  H    0.072935
    27  H   -0.094793
    28  H   -0.006727
    29  C    1.286501
    30  H    0.146460
    31  H   -0.094706
    32  H   -0.040071
    33  H   -0.015574
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.111217
     2  C   -1.415986
     3  C    0.403348
     4  C   -1.518887
     5  C    0.387089
     6  C    0.060933
     7  C    1.444876
     8  C   -2.096313
     9  C    0.973533
    10  C    0.991822
    11  C   -0.436335
    12  C    0.857604
    13  O   -0.486805
    14  O   -0.189813
    29  C    1.136149
 Electronic spatial extent (au):  <R**2>=           4751.1940
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.1457    Y=             -0.8399    Z=              1.1983  Tot=              1.8585
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -92.0917   YY=            -92.7431   ZZ=            -91.0917
   XY=             -3.9199   XZ=              4.4582   YZ=              1.6482
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.1162   YY=             -0.7676   ZZ=              0.8838
   XY=             -3.9199   XZ=              4.4582   YZ=              1.6482
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             28.1568  YYY=             -7.7513  ZZZ=             -0.7814  XYY=             16.2744
  XXY=            -31.2662  XXZ=             15.1245  XZZ=              4.0480  YZZ=             -6.2654
  YYZ=             -4.1307  XYZ=             18.2068
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5322.5614 YYYY=           -647.5079 ZZZZ=           -489.0625 XXXY=           -180.6768
 XXXZ=             12.2394 YYYX=            -24.6989 YYYZ=              8.9459 ZZZX=              4.6276
 ZZZY=             -7.7627 XXYY=           -952.7672 XXZZ=           -977.6230 YYZZ=           -179.8274
 XXYZ=             81.0192 YYXZ=            -37.1189 ZZXY=            -28.6468
 N-N= 9.705219260207D+02 E-N=-3.463766083488D+03  KE= 6.490927630389D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Sep 27 11:17:43 2021, MaxMem=  6442450944 cpu:               4.8 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.18087615D-01-3.41454671D-01 4.50648749D-01
 Polarizability= 2.08367578D+02 9.31197296D+00 1.34084396D+02
                 3.07554708D+00-9.21755552D+00 1.37122516D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.6930   -1.6926        5.0704    5.0723
 2      1.6930    1.6926        4.8133    4.8118      -41.3767  -41.3763
 3     -5.0704   -5.0723       39.8699   39.8695       -4.8136   -4.8118
 4     -4.8133   -4.8118        0.0000    0.0000       -5.0693   -5.0723
 5      1.5068    1.5068        5.0693    5.0723       -1.6908   -1.6926
 6      4.8136    4.8118        1.6908    1.6926       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        5.0778    5.0778       15.2168   15.2168
 2    -14.4354  -14.4354        0.0000    0.0000       15.2168   15.2168
 3    -14.4354  -14.4354        5.0778    5.0778        0.0000    0.0000
 4      5.0778    5.0778       14.4354   14.4354     -124.1290 -124.1290
 5    -15.2168  -15.2168      119.6086  119.6086      -14.4354  -14.4354
 6      4.5203    4.5203       15.2168   15.2168       -5.0778   -5.0778
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0004    0.0000        6.6289    6.7704      -20.4529  -20.2890
 2     -6.6685   -6.7704      -19.2616  -19.2473      165.4811  165.5053
 3     20.2497   20.2890     -159.4814 -159.4782       19.2629   19.2473
 4     19.1237   19.2473       -0.0567    0.0000       20.2570   20.2890
 5     -6.0570   -6.0271      -20.3214  -20.2890        6.7522    6.7704
 6    -19.2091  -19.2473       -6.8045   -6.7704       -0.0410    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0181    0.0000      -12.9019  -12.7746       33.5845   33.5660
 2     12.8886   12.7746       -2.0564   -1.9331       11.8727   11.7666
 3    -33.4927  -33.5660      -16.3783  -16.2771        2.0244    1.9331
 4      1.9461    1.9331       -0.0379    0.0000      -33.4955  -33.5660
 5      4.8132    4.5104       33.3816   33.5660      -12.9103  -12.7746
 6     -2.0208   -1.9331       12.8365   12.7746       -0.0435    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -10.2199  -10.0566        6.9158    7.0896      -47.2444  -47.2014
 2     -2.6134   -2.5095       24.5010   24.7057      -47.2642  -47.2014
 3     -2.5620   -2.5095        6.8373    7.0896      -95.8998  -95.8886
 4    -17.5299  -17.6161       -7.8711   -7.5471       15.2457   15.1151
 5    -48.4778  -48.6872        6.5522    6.6979        7.4157    7.5471
 6    -21.6280  -21.8130       48.4132   48.6872       17.3353   17.6161
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.5129   -0.0005    0.0006    0.0007    1.3541    3.4605
 Low frequencies ---   23.6182   38.0581   44.8628
 Diagonal vibrational polarizability:
       38.9069094      18.4296831      11.9115717
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     23.6088                38.0548                44.8534
 Red. masses --      3.7892                 5.9048                 4.0212
 Frc consts  --      0.0012                 0.0050                 0.0048
 IR Inten    --      0.0864                 1.1818                 0.5689
 RamAct Fr= 1--      0.2947                 0.7897                 2.8150
  Dep-P Fr= 1--      0.7374                 0.7495                 0.7123
  Dep-U Fr= 1--      0.8489                 0.8568                 0.8319
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0018
 Beta2  Fr= 1--      0.0417                 0.1128                 0.3903
 AlphaG Fr= 1--     -0.0007                -0.0004                 0.0082
 Gamma2 Fr= 1--     -0.3118                -0.3632                 0.2301
 Delta2 Fr= 1--     -0.3042                 0.1184                -0.5808
 Raman1 Fr= 1--       1.179                  3.159                 11.260
 ROA1   Fr= 1--     -39.666                -31.075                  3.502
 CID1   Fr= 1--     -33.644                 -9.837                  0.311
 Raman2 Fr= 1--       0.500                  1.353                  4.684
 ROA2   Fr= 1--      -5.049                 -9.663                 10.169
 CID2   Fr= 1--     -10.089                 -7.140                  2.171
 Raman3 Fr= 1--       1.001                  2.707                  9.368
 ROA3   Fr= 1--     -39.666                -31.075                  3.502
 CID3   Fr= 1--     -39.633                -11.481                  0.374
 RC180  Fr= 1--       0.698                  0.714                  0.664
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.08    -0.03  -0.06  -0.05    -0.05   0.09   0.03
     2   6     0.01   0.07  -0.06    -0.03  -0.05  -0.05    -0.01  -0.04  -0.03
     3   6     0.00   0.03  -0.06    -0.03  -0.06  -0.05    -0.05   0.09   0.03
     4   6    -0.00   0.08  -0.02    -0.02  -0.07  -0.05    -0.01  -0.02  -0.04
     5   6    -0.00   0.12  -0.00    -0.01  -0.09  -0.06     0.03  -0.16  -0.11
     6   6     0.00   0.12  -0.02    -0.01  -0.07  -0.06     0.03  -0.16  -0.11
     7   6     0.02   0.05  -0.09    -0.04   0.01  -0.03    -0.02  -0.01  -0.02
     8   6    -0.01  -0.09   0.03     0.02   0.03   0.03     0.01  -0.04   0.04
     9   6     0.00  -0.10  -0.03    -0.01   0.15  -0.01    -0.01   0.07  -0.05
    10   6    -0.06  -0.05   0.23     0.12   0.03   0.15     0.11  -0.02   0.21
    11   6     0.00   0.06  -0.01    -0.04  -0.02  -0.01    -0.03   0.02  -0.02
    12   6    -0.00  -0.07   0.04     0.01   0.02   0.02     0.02   0.04   0.02
    13   8     0.03  -0.16  -0.01    -0.20  -0.02  -0.10     0.17   0.08   0.11
    14   8    -0.05  -0.06   0.16     0.35   0.12   0.20    -0.12  -0.00  -0.07
    15   1     0.01  -0.02  -0.11    -0.04  -0.04  -0.05    -0.08   0.18   0.09
    16   1     0.00  -0.01  -0.07    -0.04  -0.05  -0.04    -0.08   0.20   0.09
    17   1    -0.00   0.15   0.02    -0.00  -0.10  -0.06     0.06  -0.25  -0.16
    18   1     0.00   0.16  -0.01    -0.01  -0.08  -0.06     0.06  -0.26  -0.16
    19   1     0.06   0.02  -0.22    -0.08   0.02  -0.07    -0.03  -0.02  -0.08
    20   1     0.01   0.18  -0.06    -0.06   0.07  -0.02    -0.03   0.05  -0.01
    21   1    -0.01  -0.22   0.01    -0.00  -0.07   0.02    -0.03  -0.17   0.03
    22   1     0.04  -0.14  -0.17    -0.09   0.14  -0.10    -0.07   0.05  -0.19
    23   1    -0.00   0.03  -0.01    -0.00   0.26   0.01     0.03   0.22  -0.04
    24   1    -0.02  -0.21   0.04     0.03   0.15   0.04     0.01   0.04   0.00
    25   1    -0.08  -0.15   0.31     0.15   0.03   0.18     0.12  -0.05   0.25
    26   1    -0.06   0.09   0.25     0.15   0.13   0.16     0.17   0.10   0.22
    27   1    -0.07  -0.05   0.27     0.14  -0.05   0.18     0.12  -0.11   0.29
    28   1    -0.04   0.12   0.03    -0.05  -0.01   0.00    -0.03   0.04  -0.00
    29   6     0.06   0.06  -0.12    -0.12  -0.01  -0.01    -0.09   0.03  -0.03
    30   1    -0.05  -0.14   0.19     0.37   0.14   0.21    -0.07   0.01  -0.04
    31   1     0.05   0.15  -0.17    -0.17  -0.03  -0.04    -0.11   0.01  -0.04
    32   1     0.11   0.00  -0.17    -0.10  -0.03  -0.02    -0.11   0.02  -0.04
    33   1     0.06   0.04  -0.11    -0.14   0.04   0.04    -0.10   0.08  -0.02
                      4                      5                      6
                      A                      A                      A
 Frequencies --     55.5603                61.0597               101.8797
 Red. masses --      4.0740                 3.1885                 4.9067
 Frc consts  --      0.0074                 0.0070                 0.0300
 IR Inten    --      0.5370                 0.0050                 0.1598
 RamAct Fr= 1--      2.1130                 1.1462                 2.5175
  Dep-P Fr= 1--      0.7487                 0.7425                 0.6546
  Dep-U Fr= 1--      0.8563                 0.8522                 0.7913
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0043
 Beta2  Fr= 1--      0.3016                 0.1628                 0.3320
 AlphaG Fr= 1--     -0.0002                 0.0003                -0.0002
 Gamma2 Fr= 1--      1.3497                -1.2921                 0.9711
 Delta2 Fr= 1--      1.4475                -0.6048                 0.5641
 Raman1 Fr= 1--       8.452                  4.585                 10.070
 ROA1   Fr= 1--     175.892               -143.397                111.272
 CID1   Fr= 1--      20.810                -31.276                 11.050
 Raman2 Fr= 1--       3.619                  1.954                  3.984
 ROA2   Fr= 1--      20.812                -26.173                 18.793
 CID2   Fr= 1--       5.751                -13.397                  4.717
 Raman3 Fr= 1--       7.237                  3.907                  7.968
 ROA3   Fr= 1--     175.892               -143.397                111.272
 CID3   Fr= 1--      24.304                -36.699                 13.964
 RC180  Fr= 1--       0.713                  0.704                  0.583
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.18  -0.12    -0.06   0.11  -0.04     0.01  -0.01   0.05
     2   6    -0.01  -0.08  -0.06    -0.01   0.07  -0.07    -0.06   0.06   0.11
     3   6     0.03  -0.15  -0.12    -0.05   0.06  -0.02     0.05  -0.08  -0.04
     4   6    -0.02  -0.02  -0.05     0.00  -0.03  -0.05     0.03  -0.08  -0.07
     5   6    -0.05   0.05  -0.01     0.05  -0.07  -0.08    -0.05  -0.02  -0.01
     6   6    -0.05   0.02  -0.02     0.04  -0.02  -0.10    -0.08   0.05   0.09
     7   6    -0.03  -0.03  -0.00    -0.02   0.09  -0.07    -0.06   0.04   0.13
     8   6     0.07   0.05   0.03    -0.00   0.02   0.02    -0.15   0.04   0.02
     9   6     0.03   0.08   0.20     0.00  -0.11   0.22    -0.11  -0.00  -0.14
    10   6     0.08   0.03  -0.08    -0.16   0.03  -0.04    -0.17   0.04   0.02
    11   6    -0.05   0.06  -0.01    -0.00  -0.06   0.00     0.03  -0.04  -0.08
    12   6     0.02   0.02   0.06     0.05  -0.01   0.03     0.14  -0.01  -0.01
    13   8     0.15   0.01   0.11     0.06   0.01   0.05     0.26   0.03   0.06
    14   8    -0.08   0.00   0.07     0.09  -0.00   0.02     0.17  -0.00  -0.00
    15   1     0.07  -0.27  -0.17    -0.10   0.17  -0.02     0.05  -0.02   0.07
    16   1     0.06  -0.21  -0.16    -0.09   0.09   0.01     0.10  -0.12  -0.08
    17   1    -0.09   0.14   0.04     0.09  -0.13  -0.10    -0.08  -0.00  -0.03
    18   1    -0.08   0.09   0.03     0.08  -0.04  -0.12    -0.13   0.10   0.12
    19   1    -0.07  -0.01   0.04     0.00   0.07  -0.15    -0.04   0.04   0.18
    20   1    -0.07  -0.04   0.00    -0.04   0.17  -0.06    -0.04  -0.04   0.11
    21   1     0.16   0.11   0.02     0.14   0.06   0.00    -0.27   0.06   0.05
    22   1     0.02   0.10   0.29     0.12  -0.11   0.29    -0.12  -0.00  -0.15
    23   1    -0.07   0.01   0.21    -0.14  -0.19   0.24     0.01  -0.02  -0.18
    24   1     0.10   0.14   0.23     0.02  -0.14   0.27    -0.20  -0.01  -0.24
    25   1     0.16   0.08  -0.04    -0.10  -0.01   0.06    -0.26   0.02  -0.07
    26   1    -0.02  -0.03  -0.07    -0.36  -0.01  -0.01    -0.05   0.01  -0.01
    27   1     0.11   0.02  -0.19    -0.14   0.10  -0.22    -0.21   0.08   0.14
    28   1    -0.07   0.12   0.03    -0.04  -0.09  -0.01     0.03  -0.01  -0.06
    29   6    -0.12   0.08  -0.08    -0.01  -0.06   0.07    -0.05  -0.03  -0.11
    30   1    -0.03  -0.02   0.12     0.13   0.03   0.04     0.29   0.04   0.07
    31   1    -0.16   0.10  -0.14    -0.04  -0.09   0.06    -0.09  -0.04  -0.14
    32   1    -0.09   0.03  -0.12     0.02  -0.03   0.08    -0.04  -0.06  -0.13
    33   1    -0.14   0.13  -0.05    -0.02  -0.07   0.11    -0.07   0.03  -0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    165.9867               214.7491               224.2402
 Red. masses --      3.4331                 2.0330                 1.3787
 Frc consts  --      0.0557                 0.0552                 0.0408
 IR Inten    --      0.0954                 0.4666                 0.1660
 RamAct Fr= 1--      0.5050                 0.1504                 0.8402
  Dep-P Fr= 1--      0.6123                 0.6720                 0.1672
  Dep-U Fr= 1--      0.7595                 0.8038                 0.2865
 Alpha2 Fr= 1--      0.0013                 0.0002                 0.0124
 Beta2  Fr= 1--      0.0639                 0.0201                 0.0401
 AlphaG Fr= 1--     -0.0028                -0.0024                 0.0047
 Gamma2 Fr= 1--      0.3611                -0.1178                -0.0310
 Delta2 Fr= 1--      0.1768                 0.0173                 0.0692
 Raman1 Fr= 1--       2.020                  0.602                  3.361
 ROA1   Fr= 1--      40.322                -10.759                 -0.760
 CID1   Fr= 1--      19.962                -17.885                 -0.226
 Raman2 Fr= 1--       0.767                  0.242                  0.481
 ROA2   Fr= 1--       7.252                 -2.966                 -1.297
 CID2   Fr= 1--       9.453                -12.269                 -2.694
 Raman3 Fr= 1--       1.534                  0.484                  0.963
 ROA3   Fr= 1--      40.322                -10.759                 -0.760
 CID3   Fr= 1--      26.282                -22.250                 -0.789
 RC180  Fr= 1--       0.519                  0.608                 -0.427
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.05  -0.02     0.07  -0.02  -0.02     0.03  -0.05  -0.02
     2   6    -0.06  -0.03  -0.03     0.03   0.01   0.01     0.00  -0.04  -0.01
     3   6    -0.04   0.13  -0.05     0.07  -0.01  -0.07     0.02  -0.01  -0.03
     4   6    -0.06   0.12  -0.08     0.04   0.01  -0.08     0.01   0.02  -0.01
     5   6    -0.11   0.11  -0.06     0.03  -0.03  -0.09    -0.00  -0.03  -0.03
     6   6    -0.11   0.03  -0.04     0.01  -0.03  -0.04     0.00  -0.06  -0.03
     7   6    -0.06  -0.13   0.04     0.01   0.02   0.09    -0.02   0.01   0.02
     8   6    -0.01  -0.06   0.02    -0.01   0.03   0.04    -0.03   0.02   0.01
     9   6    -0.05   0.04   0.04     0.01  -0.02  -0.04    -0.02   0.01  -0.03
    10   6     0.11  -0.09  -0.03    -0.05   0.04   0.02    -0.05   0.03   0.03
    11   6    -0.03  -0.01  -0.05     0.01   0.03   0.00     0.01   0.03  -0.00
    12   6     0.02  -0.01  -0.01    -0.01   0.02   0.01    -0.00   0.02   0.00
    13   8     0.09  -0.01   0.02    -0.03  -0.04  -0.04     0.01  -0.00  -0.01
    14   8     0.06  -0.00   0.04    -0.08   0.01   0.05    -0.02   0.02   0.04
    15   1     0.02   0.04   0.01     0.09  -0.02  -0.01     0.05  -0.06  -0.02
    16   1    -0.01   0.16  -0.05     0.11  -0.01  -0.09     0.03  -0.01  -0.03
    17   1    -0.15   0.13  -0.08     0.01  -0.05  -0.12    -0.01  -0.03  -0.05
    18   1    -0.14  -0.00  -0.04    -0.02  -0.06  -0.04    -0.00  -0.08  -0.03
    19   1    -0.01  -0.12   0.16     0.02   0.02   0.15    -0.05   0.01   0.02
    20   1    -0.12  -0.24   0.03    -0.03  -0.05   0.08    -0.02   0.01   0.02
    21   1    -0.02  -0.05   0.02    -0.06   0.06   0.06    -0.04   0.02   0.01
    22   1    -0.13   0.05   0.03     0.01   0.00   0.06    -0.09   0.07   0.19
    23   1    -0.07   0.09   0.05     0.11  -0.14  -0.08     0.10  -0.22  -0.09
    24   1     0.01   0.09   0.08    -0.06   0.03  -0.17    -0.05   0.18  -0.24
    25   1     0.09  -0.02  -0.12    -0.13   0.02  -0.06     0.10   0.01   0.23
    26   1     0.22  -0.12  -0.05     0.04   0.00  -0.00    -0.30   0.09   0.09
    27   1     0.10  -0.15   0.06    -0.08   0.08   0.11     0.01  -0.00  -0.19
    28   1    -0.12  -0.12  -0.09    -0.04  -0.02  -0.02     0.00   0.01  -0.01
    29   6     0.17  -0.07   0.13    -0.03   0.01   0.13     0.07   0.02   0.05
    30   1     0.13   0.01   0.08    -0.14  -0.06   0.03    -0.03  -0.01   0.04
    31   1     0.19  -0.07   0.14    -0.35   0.02  -0.14     0.37  -0.07   0.34
    32   1     0.30   0.06   0.19     0.39   0.05   0.06    -0.28   0.11   0.18
    33   1     0.18  -0.27   0.20    -0.15  -0.04   0.59     0.19  -0.00  -0.33
                     10                     11                     12
                      A                      A                      A
 Frequencies --    227.9483               235.8238               254.6764
 Red. masses --      1.1418                 1.8868                 1.3197
 Frc consts  --      0.0350                 0.0618                 0.0504
 IR Inten    --      0.5015                 0.2543                 0.3908
 RamAct Fr= 1--      0.1021                 1.7916                 0.3422
  Dep-P Fr= 1--      0.4908                 0.1906                 0.7492
  Dep-U Fr= 1--      0.6584                 0.3201                 0.8566
 Alpha2 Fr= 1--      0.0005                 0.0249                 0.0000
 Beta2  Fr= 1--      0.0112                 0.0956                 0.0489
 AlphaG Fr= 1--      0.0027                 0.0059                 0.0006
 Gamma2 Fr= 1--     -0.0135                -0.2051                 0.1705
 Delta2 Fr= 1--     -0.0321                -0.2125                 0.2896
 Raman1 Fr= 1--       0.409                  7.166                  1.369
 ROA1   Fr= 1--      -2.321                -26.486                 25.640
 CID1   Fr= 1--      -5.681                 -3.696                 18.732
 Raman2 Fr= 1--       0.135                  1.147                  0.586
 ROA2   Fr= 1--      -0.066                 -3.221                  1.776
 CID2   Fr= 1--      -0.492                 -2.808                  3.029
 Raman3 Fr= 1--       0.269                  2.294                  1.173
 ROA3   Fr= 1--      -2.321                -26.486                 25.640
 CID3   Fr= 1--      -8.628                -11.544                 21.867
 RC180  Fr= 1--       0.317                 -0.360                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.01     0.02  -0.07  -0.02    -0.02  -0.02  -0.03
     2   6    -0.01  -0.02   0.00    -0.01  -0.06  -0.01    -0.01  -0.01  -0.03
     3   6    -0.02   0.01   0.02     0.01  -0.03   0.00    -0.03  -0.02  -0.00
     4   6    -0.01   0.00   0.02     0.01   0.02   0.04    -0.01   0.00   0.02
     5   6    -0.01   0.01   0.03     0.01  -0.05   0.01     0.01  -0.02   0.00
     6   6    -0.01   0.00   0.02     0.02  -0.09  -0.01     0.01  -0.02  -0.02
     7   6    -0.00  -0.01  -0.03    -0.03   0.00  -0.02    -0.02   0.02  -0.01
     8   6     0.00  -0.01  -0.01    -0.04   0.02  -0.02    -0.01   0.01   0.02
     9   6    -0.00   0.01  -0.02    -0.06   0.05   0.01     0.00  -0.02   0.02
    10   6     0.01  -0.01   0.02    -0.09   0.02  -0.01     0.00   0.02   0.02
    11   6    -0.00  -0.01   0.01     0.02   0.04   0.03    -0.01  -0.00   0.03
    12   6     0.00  -0.00   0.00    -0.00   0.02   0.02    -0.01  -0.00   0.03
    13   8    -0.00   0.02   0.02    -0.02   0.04   0.02    -0.03   0.04   0.05
    14   8     0.02  -0.00  -0.03    -0.00   0.02  -0.01     0.02   0.00  -0.02
    15   1    -0.02  -0.00   0.01     0.04  -0.09  -0.02    -0.03  -0.03  -0.04
    16   1    -0.03   0.01   0.03     0.00  -0.03   0.01    -0.04  -0.02   0.00
    17   1    -0.02   0.02   0.03     0.00  -0.05  -0.00     0.02  -0.03   0.01
    18   1    -0.00   0.00   0.02     0.04  -0.11  -0.03     0.03  -0.02  -0.03
    19   1    -0.02  -0.01  -0.06    -0.07   0.01  -0.03    -0.03   0.02  -0.04
    20   1     0.01   0.02  -0.02    -0.01   0.02  -0.02    -0.04   0.06  -0.00
    21   1     0.01  -0.03  -0.02    -0.03   0.01  -0.02    -0.01   0.02   0.02
    22   1    -0.09   0.08   0.25    -0.00  -0.04  -0.37    -0.04   0.05   0.33
    23   1     0.10  -0.26  -0.08    -0.22   0.45   0.10     0.10  -0.35  -0.05
    24   1    -0.01   0.21  -0.23     0.00  -0.19   0.33    -0.03   0.17  -0.22
    25   1     0.25  -0.00   0.29    -0.09  -0.00   0.02    -0.28  -0.00  -0.29
    26   1    -0.32   0.08   0.10    -0.14   0.03  -0.00     0.42  -0.05  -0.07
    27   1     0.11  -0.09  -0.29    -0.09   0.06  -0.05    -0.11   0.09   0.42
    28   1    -0.00   0.00   0.01     0.02   0.05   0.04    -0.01   0.02   0.04
    29   6     0.03  -0.00  -0.04     0.16   0.03  -0.03     0.08   0.00  -0.06
    30   1     0.04   0.03  -0.03    -0.02   0.03  -0.02     0.02   0.04  -0.02
    31   1    -0.17   0.12  -0.28     0.10   0.19  -0.16     0.12   0.11  -0.08
    32   1     0.36  -0.08  -0.16     0.40  -0.01  -0.11     0.12  -0.05  -0.10
    33   1    -0.04  -0.06   0.25     0.15  -0.10   0.11     0.10  -0.06  -0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    298.0842               309.0713               358.0691
 Red. masses --      2.7521                 3.7794                 2.9075
 Frc consts  --      0.1441                 0.2127                 0.2196
 IR Inten    --      0.3940                 0.9527                 0.9103
 RamAct Fr= 1--      1.2563                 1.4567                 1.8138
  Dep-P Fr= 1--      0.0913                 0.7405                 0.7500
  Dep-U Fr= 1--      0.1673                 0.8509                 0.8571
 Alpha2 Fr= 1--      0.0225                 0.0002                 0.0000
 Beta2  Fr= 1--      0.0350                 0.2066                 0.2591
 AlphaG Fr= 1--     -0.0036                -0.0006                -0.0001
 Gamma2 Fr= 1--     -0.1534                -0.9030                 0.7844
 Delta2 Fr= 1--      0.0599                -0.9137                 0.2410
 Raman1 Fr= 1--       5.025                  5.827                  7.255
 ROA1   Fr= 1--     -12.807               -115.928                 83.012
 CID1   Fr= 1--      -2.548                -19.895                 11.442
 Raman2 Fr= 1--       0.420                  2.479                  3.109
 ROA2   Fr= 1--      -4.160                -14.363                 16.898
 CID2   Fr= 1--      -9.899                 -5.794                  5.435
 Raman3 Fr= 1--       0.841                  4.958                  6.219
 ROA3   Fr= 1--     -12.807               -115.928                 83.012
 CID3   Fr= 1--     -15.236                -23.381                 13.349
 RC180  Fr= 1--      -0.665                  0.702                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00    -0.05  -0.09   0.07    -0.05   0.04   0.04
     2   6     0.00  -0.01   0.00    -0.02  -0.14   0.03    -0.06   0.11   0.08
     3   6    -0.02   0.02  -0.03    -0.06   0.02   0.09     0.00  -0.12  -0.04
     4   6    -0.07   0.02  -0.05    -0.08   0.03   0.06     0.01  -0.09  -0.03
     5   6    -0.06   0.02  -0.06    -0.10   0.01   0.07     0.00  -0.10  -0.03
     6   6    -0.05  -0.01  -0.04    -0.06  -0.10   0.05    -0.04   0.03   0.04
     7   6     0.03   0.00   0.11     0.00   0.06  -0.11    -0.03   0.11  -0.01
     8   6     0.08   0.09   0.05     0.08   0.08  -0.06    -0.06   0.00   0.02
     9   6     0.18  -0.10  -0.08     0.12  -0.07  -0.01    -0.02  -0.11  -0.00
    10   6     0.02   0.09   0.01    -0.02   0.12   0.03     0.17  -0.04  -0.05
    11   6    -0.08  -0.04   0.00    -0.03   0.03  -0.09    -0.01   0.02  -0.02
    12   6    -0.05  -0.03   0.05     0.01   0.04  -0.12    -0.01   0.06  -0.02
    13   8    -0.06   0.06   0.11     0.15  -0.06  -0.13     0.01   0.03  -0.03
    14   8     0.02  -0.02  -0.01    -0.00   0.05   0.03    -0.07   0.07   0.07
    15   1    -0.01  -0.01  -0.00    -0.04  -0.09   0.08    -0.06   0.06   0.05
    16   1     0.02   0.04  -0.04    -0.05   0.06   0.10     0.02  -0.19  -0.08
    17   1    -0.06   0.02  -0.06    -0.13   0.06   0.08     0.02  -0.15  -0.06
    18   1    -0.10  -0.03  -0.03    -0.09  -0.13   0.05    -0.04   0.05   0.05
    19   1     0.00   0.04   0.26    -0.18   0.07  -0.28    -0.01   0.07  -0.21
    20   1    -0.04  -0.13   0.10     0.11   0.24  -0.10     0.03   0.29   0.00
    21   1     0.05   0.13   0.06     0.14   0.05  -0.07    -0.06  -0.00   0.02
    22   1     0.40  -0.19  -0.30     0.28  -0.09   0.01     0.13  -0.15  -0.05
    23   1     0.23   0.04  -0.07     0.08  -0.13  -0.01    -0.04  -0.11   0.00
    24   1    -0.00  -0.38  -0.02     0.05  -0.16  -0.01    -0.11  -0.24   0.03
    25   1     0.10   0.08   0.13    -0.16   0.01  -0.03     0.36   0.17  -0.05
    26   1    -0.15   0.10   0.05     0.12   0.17   0.02     0.17  -0.07  -0.06
    27   1     0.05   0.11  -0.14    -0.08   0.20   0.20     0.26  -0.28  -0.14
    28   1    -0.15  -0.04   0.02     0.05  -0.03  -0.15     0.02   0.01  -0.04
    29   6     0.03  -0.06  -0.07     0.00   0.00   0.07     0.10   0.00  -0.00
    30   1     0.09   0.07  -0.00     0.10  -0.02   0.13    -0.07  -0.03   0.11
    31   1     0.11   0.03  -0.04    -0.06  -0.06   0.05     0.16   0.07   0.02
    32   1     0.02  -0.09  -0.09     0.12   0.13   0.12     0.17   0.04   0.01
    33   1     0.07  -0.12  -0.16    -0.02  -0.08   0.21     0.13  -0.14  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    383.3109               409.5839               418.8151
 Red. masses --      2.9200                 2.9284                 2.9718
 Frc consts  --      0.2528                 0.2894                 0.3071
 IR Inten    --      0.4850                 2.4397                 0.0037
 RamAct Fr= 1--      1.1203                 3.8386                 0.0285
  Dep-P Fr= 1--      0.1125                 0.1378                 0.6990
  Dep-U Fr= 1--      0.2022                 0.2422                 0.8229
 Alpha2 Fr= 1--      0.0190                 0.0612                 0.0000
 Beta2  Fr= 1--      0.0378                 0.1549                 0.0039
 AlphaG Fr= 1--      0.0176                 0.0337                 0.0027
 Gamma2 Fr= 1--      0.1103                 0.6227                -0.3434
 Delta2 Fr= 1--     -0.1133                 0.1479                -0.0028
 Raman1 Fr= 1--       4.481                 15.354                  0.114
 ROA1   Fr= 1--       6.959                 64.506                -33.053
 CID1   Fr= 1--       1.553                  4.201               -290.376
 Raman2 Fr= 1--       0.453                  1.859                  0.047
 ROA2   Fr= 1--       3.552                 13.761                 -8.218
 CID2   Fr= 1--       7.840                  7.401               -175.469
 Raman3 Fr= 1--       0.906                  3.719                  0.094
 ROA3   Fr= 1--       6.959                 64.506                -33.053
 CID3   Fr= 1--       7.679                 17.346               -352.884
 RC180  Fr= 1--      -0.596                 -0.516                  0.646
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.00   0.14    -0.04   0.03   0.03     0.06  -0.18  -0.09
     2   6     0.02  -0.05   0.14     0.03   0.05   0.01    -0.00  -0.01   0.01
     3   6     0.12   0.03  -0.06    -0.03  -0.06   0.02    -0.05   0.18   0.10
     4   6     0.02   0.03  -0.13    -0.03  -0.10  -0.02     0.00  -0.00  -0.01
     5   6    -0.05   0.03  -0.10     0.01  -0.05  -0.01     0.05  -0.18  -0.11
     6   6    -0.07  -0.04   0.08    -0.00   0.07   0.01    -0.07   0.17   0.11
     7   6     0.06   0.05  -0.12     0.08  -0.04   0.00    -0.00   0.00  -0.01
     8   6     0.03  -0.03  -0.09     0.12  -0.08   0.05    -0.00   0.00  -0.02
     9   6    -0.01   0.04   0.03     0.10   0.13  -0.01    -0.01  -0.01   0.00
    10   6    -0.02  -0.01  -0.01    -0.11  -0.08  -0.01     0.01   0.01  -0.00
    11   6    -0.03  -0.02  -0.01    -0.06  -0.04  -0.06     0.00   0.00  -0.00
    12   6    -0.02  -0.03   0.06    -0.05   0.06  -0.05     0.00  -0.00   0.01
    13   8    -0.08   0.04   0.09     0.03   0.05  -0.02    -0.00   0.00   0.00
    14   8     0.00  -0.04   0.00    -0.08   0.09   0.10     0.00  -0.00  -0.00
    15   1     0.16   0.03   0.24    -0.09   0.05  -0.01     0.14  -0.38  -0.19
    16   1     0.25   0.08  -0.10    -0.03  -0.05   0.02    -0.11   0.38   0.21
    17   1    -0.15   0.06  -0.16     0.06  -0.07   0.01     0.11  -0.38  -0.22
    18   1    -0.20  -0.09   0.12    -0.02   0.11   0.03    -0.14   0.37   0.22
    19   1    -0.06   0.02  -0.44     0.14  -0.06  -0.01    -0.00   0.00  -0.02
    20   1     0.29   0.34  -0.12     0.04  -0.03   0.01     0.02   0.01  -0.01
    21   1     0.08  -0.08  -0.10     0.14  -0.08   0.05     0.00  -0.00  -0.02
    22   1    -0.08   0.07   0.10    -0.17   0.16  -0.05     0.01  -0.01   0.02
    23   1    -0.10   0.01   0.05     0.24   0.22  -0.03    -0.03  -0.02   0.01
    24   1     0.10   0.13   0.07     0.19   0.29  -0.08    -0.00  -0.02   0.02
    25   1    -0.09  -0.09  -0.02    -0.27  -0.21  -0.06     0.02   0.01   0.01
    26   1     0.03   0.03  -0.01    -0.20  -0.22  -0.02     0.02   0.03   0.00
    27   1    -0.05   0.04   0.07    -0.20   0.21  -0.05     0.02  -0.01   0.01
    28   1    -0.14  -0.02   0.02    -0.00  -0.07  -0.10    -0.01   0.00   0.00
    29   6    -0.01  -0.03  -0.02     0.04  -0.08  -0.04     0.00   0.00   0.01
    30   1    -0.01  -0.00  -0.03     0.04  -0.03   0.22    -0.00   0.00  -0.01
    31   1     0.02  -0.04   0.01     0.10   0.00  -0.03     0.01  -0.00   0.01
    32   1    -0.05  -0.03  -0.01     0.12  -0.05  -0.04    -0.00   0.01   0.01
    33   1    -0.00  -0.03  -0.06     0.07  -0.22  -0.05     0.00   0.00   0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    424.3553               477.7641               510.6508
 Red. masses --      2.0275                 3.8699                 3.0260
 Frc consts  --      0.2151                 0.5204                 0.4649
 IR Inten    --      0.8962                12.1763                 1.5201
 RamAct Fr= 1--      0.4199                 1.0603                 0.3941
  Dep-P Fr= 1--      0.3794                 0.1819                 0.6959
  Dep-U Fr= 1--      0.5501                 0.3078                 0.8207
 Alpha2 Fr= 1--      0.0033                 0.0151                 0.0004
 Beta2  Fr= 1--      0.0385                 0.0544                 0.0539
 AlphaG Fr= 1--      0.0015                -0.0189                -0.0028
 Gamma2 Fr= 1--      0.1186                 0.6240                 0.2941
 Delta2 Fr= 1--     -0.1551                 0.2582                 0.1349
 Raman1 Fr= 1--       1.679                  4.241                  1.577
 ROA1   Fr= 1--       6.422                 68.169                 32.550
 CID1   Fr= 1--       3.824                 16.073                 20.647
 Raman2 Fr= 1--       0.462                  0.653                  0.647
 ROA2   Fr= 1--       4.087                 12.911                  5.979
 CID2   Fr= 1--       8.847                 19.781                  9.243
 Raman3 Fr= 1--       0.924                  1.305                  1.294
 ROA3   Fr= 1--       6.422                 68.169                 32.550
 CID3   Fr= 1--       6.951                 52.221                 25.157
 RC180  Fr= 1--       0.100                 -0.384                  0.641
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.05  -0.02    -0.11   0.08   0.02    -0.00  -0.04   0.02
     2   6     0.00  -0.02  -0.00    -0.12   0.02   0.01     0.03   0.17   0.10
     3   6    -0.01   0.04   0.01    -0.04  -0.07  -0.07    -0.01  -0.09   0.02
     4   6    -0.02   0.07   0.02     0.04  -0.09  -0.05    -0.13   0.11   0.07
     5   6    -0.01   0.02   0.00    -0.06  -0.10  -0.02     0.01  -0.05  -0.05
     6   6     0.01  -0.04  -0.02    -0.12   0.05   0.06     0.02  -0.00  -0.04
     7   6    -0.02   0.12   0.02    -0.05  -0.07  -0.05     0.10   0.02   0.02
     8   6     0.00  -0.03   0.19     0.10  -0.02  -0.00     0.01  -0.03  -0.07
     9   6     0.03   0.03  -0.03     0.14   0.04  -0.01    -0.02   0.01   0.01
    10   6    -0.01  -0.10  -0.06    -0.03  -0.01   0.00     0.00  -0.02   0.00
    11   6    -0.01   0.02   0.01     0.08   0.12   0.08    -0.13   0.08  -0.03
    12   6     0.00  -0.03   0.00     0.11  -0.01   0.09    -0.10  -0.05  -0.02
    13   8     0.01  -0.03   0.01    -0.02  -0.08  -0.01     0.03  -0.08   0.02
    14   8     0.04  -0.03  -0.04     0.07  -0.06  -0.09     0.06  -0.04  -0.09
    15   1     0.02  -0.08  -0.03    -0.11   0.14   0.08    -0.00  -0.23  -0.14
    16   1    -0.01   0.05   0.01    -0.10  -0.10  -0.06     0.10  -0.27  -0.11
    17   1    -0.01   0.02  -0.01    -0.11  -0.09  -0.06     0.13  -0.25  -0.10
    18   1     0.01  -0.06  -0.03    -0.12   0.12   0.09     0.04  -0.22  -0.14
    19   1    -0.06   0.06  -0.34    -0.05  -0.06   0.01     0.23   0.01   0.11
    20   1    -0.05   0.50   0.09    -0.08  -0.10  -0.05     0.16  -0.11  -0.01
    21   1    -0.03  -0.03   0.20     0.17  -0.04  -0.02     0.00  -0.03  -0.07
    22   1    -0.08   0.02  -0.18     0.08   0.04  -0.04    -0.06   0.03   0.07
    23   1     0.27   0.15  -0.08     0.21   0.06  -0.03    -0.12   0.00   0.04
    24   1    -0.06   0.02  -0.14     0.12   0.06  -0.05     0.09   0.08   0.07
    25   1     0.02   0.08  -0.21    -0.14  -0.14   0.01    -0.00  -0.08   0.05
    26   1    -0.06  -0.41  -0.12    -0.09  -0.04   0.01     0.00   0.06   0.02
    27   1     0.01  -0.04  -0.22    -0.09   0.16   0.00    -0.00  -0.02   0.03
    28   1    -0.02   0.02   0.02     0.02   0.20   0.15    -0.13   0.10  -0.01
    29   6    -0.02   0.03   0.02     0.06   0.20   0.08    -0.00   0.09   0.04
    30   1     0.05   0.04  -0.06    -0.26   0.02  -0.35     0.40   0.26   0.04
    31   1    -0.04  -0.00   0.01     0.07   0.17   0.10     0.03   0.07   0.08
    32   1    -0.04   0.03   0.02     0.03   0.23   0.10     0.06   0.19   0.09
    33   1    -0.03   0.06   0.03     0.06   0.20   0.07     0.01  -0.05   0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --    591.7572               617.7631               641.9024
 Red. masses --      2.0213                 1.7875                 3.3510
 Frc consts  --      0.4170                 0.4019                 0.8135
 IR Inten    --     49.2852                62.5229                20.9174
 RamAct Fr= 1--      1.9168                 1.1272                 3.4375
  Dep-P Fr= 1--      0.2666                 0.7447                 0.6584
  Dep-U Fr= 1--      0.4209                 0.8537                 0.7940
 Alpha2 Fr= 1--      0.0217                 0.0001                 0.0056
 Beta2  Fr= 1--      0.1345                 0.1604                 0.4549
 AlphaG Fr= 1--     -0.0259                -0.0024                -0.0250
 Gamma2 Fr= 1--     -0.4038                -1.4550                -0.0973
 Delta2 Fr= 1--     -0.0570                -0.4098                 0.0515
 Raman1 Fr= 1--       7.667                  4.509                 13.750
 ROA1   Fr= 1--     -40.589               -152.797                 -7.691
 CID1   Fr= 1--      -5.294                -33.888                 -0.559
 Raman2 Fr= 1--       1.614                  1.925                  5.459
 ROA2   Fr= 1--      -9.236                -31.642                 -2.747
 CID2   Fr= 1--      -5.723                -16.441                 -0.503
 Raman3 Fr= 1--       3.227                  3.849                 10.918
 ROA3   Fr= 1--     -40.589               -152.797                 -7.691
 CID3   Fr= 1--     -12.576                -39.697                 -0.704
 RC180  Fr= 1--      -0.158                  0.707                  0.588
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.02     0.01   0.04  -0.03    -0.09  -0.03   0.05
     2   6     0.08  -0.11  -0.07    -0.09   0.03   0.01    -0.01  -0.05   0.04
     3   6     0.02  -0.02   0.04     0.04   0.02  -0.04    -0.06   0.03  -0.13
     4   6     0.02  -0.14  -0.06     0.06   0.06   0.04     0.02   0.03  -0.05
     5   6     0.02   0.00   0.01     0.00  -0.04   0.03     0.11   0.06  -0.07
     6   6     0.02   0.05  -0.01    -0.02  -0.01   0.04     0.08  -0.01   0.11
     7   6     0.01   0.00   0.01    -0.08  -0.03  -0.04    -0.02  -0.02   0.00
     8   6    -0.03   0.01   0.02     0.02  -0.00   0.00    -0.00   0.00   0.01
     9   6    -0.04  -0.01  -0.00     0.05   0.01   0.00     0.01   0.00   0.00
    10   6    -0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6    -0.06   0.06  -0.06     0.09  -0.01  -0.01    -0.03  -0.04   0.18
    12   6    -0.08  -0.04  -0.01    -0.03  -0.04  -0.05    -0.02   0.08   0.08
    13   8    -0.02  -0.02   0.04    -0.03   0.06   0.01     0.05  -0.15  -0.06
    14   8    -0.01  -0.03  -0.04    -0.06  -0.06   0.01    -0.06   0.14  -0.09
    15   1    -0.10   0.29   0.14     0.11  -0.06  -0.04    -0.02  -0.00   0.13
    16   1    -0.05   0.22   0.17     0.02  -0.12  -0.10    -0.02   0.08  -0.13
    17   1    -0.01   0.22   0.17    -0.02  -0.15  -0.07     0.04   0.07  -0.13
    18   1    -0.05   0.29   0.13     0.07  -0.08  -0.02     0.01  -0.01   0.14
    19   1    -0.03   0.01  -0.03    -0.09  -0.03  -0.02    -0.04  -0.01   0.02
    20   1    -0.01   0.04   0.02    -0.09  -0.03  -0.04    -0.02  -0.04  -0.00
    21   1    -0.06   0.03   0.03     0.07  -0.02  -0.01     0.00   0.01   0.01
    22   1    -0.03  -0.01  -0.01     0.06  -0.00  -0.02     0.01  -0.00  -0.01
    23   1    -0.04  -0.01  -0.00     0.09   0.01  -0.01     0.02   0.00  -0.00
    24   1    -0.06  -0.02  -0.00     0.01  -0.01  -0.03    -0.01  -0.01  -0.01
    25   1     0.03   0.06  -0.02    -0.03  -0.03   0.00    -0.01   0.00  -0.00
    26   1     0.01  -0.01  -0.01    -0.01  -0.01   0.00    -0.00  -0.00   0.00
    27   1     0.01  -0.02  -0.01    -0.01   0.04  -0.00    -0.00   0.01  -0.00
    28   1    -0.04   0.12  -0.02     0.13  -0.02  -0.02    -0.07  -0.11   0.14
    29   6     0.02   0.09   0.02     0.00   0.01   0.00    -0.01  -0.06  -0.00
    30   1     0.53   0.23   0.24     0.70   0.06   0.50     0.45   0.51   0.13
    31   1     0.07   0.04   0.09    -0.09  -0.10  -0.02     0.05   0.19  -0.07
    32   1     0.10   0.25   0.11    -0.06  -0.01   0.01    -0.04  -0.32  -0.16
    33   1     0.04  -0.08   0.07    -0.04   0.14   0.05     0.02   0.00  -0.16
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.4875               715.0433               762.2759
 Red. masses --      5.2470                 3.3663                 3.6730
 Frc consts  --      1.3691                 1.0141                 1.2575
 IR Inten    --      6.5434                32.8880                 4.8961
 RamAct Fr= 1--      5.2216                 1.5085                15.6934
  Dep-P Fr= 1--      0.4563                 0.1349                 0.0529
  Dep-U Fr= 1--      0.6267                 0.2377                 0.1005
 Alpha2 Fr= 1--      0.0312                 0.0242                 0.3079
 Beta2  Fr= 1--      0.5454                 0.0598                 0.2628
 AlphaG Fr= 1--     -0.0273                 0.0358                -0.0048
 Gamma2 Fr= 1--      0.2460                 1.2823                 0.1005
 Delta2 Fr= 1--     -0.4142                 0.3836                -0.1342
 Raman1 Fr= 1--      20.886                  6.034                 62.774
 ROA1   Fr= 1--      10.356                135.374                  5.356
 CID1   Fr= 1--       0.496                 22.435                  0.085
 Raman2 Fr= 1--       6.544                  0.717                  3.154
 ROA2   Fr= 1--       9.217                 27.706                  3.487
 CID2   Fr= 1--       1.408                 38.640                  1.106
 Raman3 Fr= 1--      13.089                  1.434                  6.308
 ROA3   Fr= 1--      10.356                135.374                  5.356
 CID3   Fr= 1--       0.791                 94.401                  0.849
 RC180  Fr= 1--       0.253                 -0.525                 -0.799
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.24   0.14  -0.09    -0.05  -0.10  -0.01    -0.06   0.07   0.10
     2   6    -0.01   0.03  -0.07     0.04   0.07   0.04     0.12  -0.18  -0.09
     3   6     0.21  -0.03   0.15    -0.10   0.02   0.05     0.00  -0.13  -0.01
     4   6     0.01  -0.03   0.07    -0.02  -0.09  -0.06    -0.11   0.18   0.10
     5   6    -0.21  -0.12   0.07    -0.12   0.06  -0.02     0.01  -0.07  -0.12
     6   6    -0.19   0.04  -0.16    -0.07  -0.05  -0.12    -0.06   0.15  -0.03
     7   6    -0.02   0.00  -0.03     0.14   0.09   0.08     0.08  -0.05   0.00
     8   6     0.00  -0.00  -0.01     0.01  -0.01  -0.04    -0.00   0.01   0.06
     9   6     0.01  -0.00  -0.00    -0.02  -0.00  -0.01    -0.08  -0.02  -0.00
    10   6     0.00   0.01  -0.00    -0.00  -0.03  -0.00     0.01   0.07  -0.00
    11   6    -0.02  -0.04   0.13     0.11  -0.03   0.09     0.03  -0.02   0.08
    12   6    -0.02   0.07   0.09     0.20   0.04   0.04     0.07   0.00  -0.04
    13   8     0.03  -0.14  -0.02    -0.04   0.04  -0.07     0.01   0.06  -0.05
    14   8    -0.03   0.13  -0.07    -0.08  -0.06  -0.01    -0.01  -0.06   0.01
    15   1     0.20   0.15  -0.11    -0.15  -0.09  -0.09    -0.18   0.23   0.13
    16   1     0.13  -0.06   0.17    -0.14   0.16   0.13     0.11  -0.31  -0.13
    17   1    -0.16  -0.14   0.10    -0.15   0.19   0.05     0.14  -0.30  -0.20
    18   1    -0.11   0.08  -0.18    -0.17  -0.10  -0.10    -0.19   0.24   0.06
    19   1    -0.05  -0.01  -0.14     0.21   0.07   0.07    -0.01  -0.06  -0.16
    20   1     0.00   0.11  -0.02     0.20   0.05   0.06     0.08   0.11   0.03
    21   1     0.02  -0.01  -0.01    -0.07   0.01  -0.02    -0.05   0.04   0.07
    22   1     0.02  -0.00  -0.00    -0.07   0.02   0.05    -0.10  -0.02  -0.03
    23   1     0.00  -0.00  -0.00    -0.14   0.00   0.02    -0.03  -0.00  -0.01
    24   1     0.00  -0.00   0.00     0.10   0.06   0.07    -0.11  -0.03  -0.03
    25   1    -0.00  -0.01   0.00     0.01  -0.04   0.03     0.02   0.12  -0.04
    26   1    -0.00   0.01  -0.00     0.01   0.02   0.01     0.00   0.01  -0.01
    27   1    -0.00   0.01   0.00     0.00  -0.06   0.02     0.01   0.08  -0.03
    28   1    -0.04  -0.09   0.10     0.05  -0.03   0.10     0.01  -0.09   0.05
    29   6    -0.01  -0.09  -0.00     0.03   0.03   0.02     0.01   0.01   0.02
    30   1     0.15   0.43  -0.05     0.45  -0.06   0.36     0.07  -0.20   0.12
    31   1     0.03   0.11  -0.06    -0.01   0.08  -0.03    -0.04   0.09  -0.06
    32   1    -0.03  -0.30  -0.13    -0.04  -0.11  -0.06    -0.08  -0.18  -0.08
    33   1     0.01  -0.05  -0.12     0.01   0.19  -0.03    -0.01   0.20  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --    798.2735               826.7717               840.8051
 Red. masses --      2.4206                 3.1942                 2.8009
 Frc consts  --      0.9088                 1.2864                 1.1667
 IR Inten    --     16.7094                 9.2373                 0.9870
 RamAct Fr= 1--      7.9004                 6.6979                24.7273
  Dep-P Fr= 1--      0.0582                 0.2169                 0.0485
  Dep-U Fr= 1--      0.1100                 0.3565                 0.0925
 Alpha2 Fr= 1--      0.1530                 0.0869                 0.4902
 Beta2  Fr= 1--      0.1448                 0.3980                 0.3813
 AlphaG Fr= 1--     -0.0616                -0.0760                 0.0454
 Gamma2 Fr= 1--     -0.8874                 1.7573                 1.7420
 Delta2 Fr= 1--     -0.7902                 0.8746                -0.1298
 Raman1 Fr= 1--      31.601                 26.792                 98.909
 ROA1   Fr= 1--    -110.479                196.689                163.080
 CID1   Fr= 1--      -3.496                  7.341                  1.649
 Raman2 Fr= 1--       1.738                  4.775                  4.575
 ROA2   Fr= 1--     -14.977                 35.179                 42.847
 CID2   Fr= 1--      -8.617                  7.367                  9.365
 Raman3 Fr= 1--       3.476                  9.551                  9.150
 ROA3   Fr= 1--    -110.479                196.689                163.080
 CID3   Fr= 1--     -31.783                 20.594                 17.822
 RC180  Fr= 1--      -0.780                 -0.287                 -0.815
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.06     0.03  -0.00   0.03     0.06  -0.04   0.03
     2   6     0.01   0.02   0.01     0.00  -0.05  -0.04    -0.03   0.08   0.05
     3   6     0.00   0.03   0.10     0.05  -0.04   0.04     0.06  -0.03   0.06
     4   6    -0.02  -0.07  -0.04    -0.06   0.08   0.04    -0.03  -0.05  -0.03
     5   6     0.02   0.07   0.01     0.05  -0.01  -0.01     0.04   0.06  -0.05
     6   6     0.03   0.05  -0.01     0.04   0.02   0.01     0.03   0.02  -0.05
     7   6    -0.03  -0.12  -0.09    -0.13   0.11   0.02    -0.12  -0.05  -0.07
     8   6    -0.00  -0.00   0.09    -0.03   0.05  -0.10    -0.01   0.00   0.01
     9   6    -0.05  -0.01   0.02     0.12   0.05  -0.01     0.03   0.01   0.02
    10   6     0.02   0.10   0.00    -0.04  -0.17   0.01     0.00   0.00   0.00
    11   6    -0.05   0.02  -0.08    -0.10   0.04  -0.06    -0.12  -0.03   0.16
    12   6     0.16   0.04   0.11     0.20   0.05   0.09    -0.02  -0.01  -0.12
    13   8    -0.05  -0.01  -0.02    -0.04   0.01  -0.05     0.05   0.07  -0.07
    14   8    -0.04  -0.01  -0.03    -0.04  -0.04  -0.02     0.03  -0.09   0.02
    15   1     0.10  -0.38  -0.19    -0.02   0.16   0.13     0.05   0.02   0.08
    16   1     0.16  -0.25  -0.09     0.11  -0.04   0.02     0.08   0.27   0.18
    17   1     0.17  -0.17  -0.06     0.11  -0.03   0.03     0.07   0.13   0.03
    18   1     0.14  -0.29  -0.20     0.02   0.20   0.10     0.02  -0.07  -0.08
    19   1    -0.03  -0.14  -0.16    -0.22   0.18   0.25    -0.11  -0.04  -0.02
    20   1    -0.05  -0.02  -0.07    -0.20  -0.10  -0.00    -0.13  -0.08  -0.07
    21   1     0.09  -0.03   0.06    -0.06   0.03  -0.09     0.09  -0.03  -0.02
    22   1    -0.05  -0.04  -0.10     0.24   0.05   0.10     0.08  -0.01  -0.04
    23   1     0.15   0.01  -0.03    -0.05  -0.03   0.02     0.15   0.00  -0.01
    24   1    -0.22  -0.08  -0.11     0.19   0.03   0.09    -0.09  -0.05  -0.06
    25   1     0.00   0.16  -0.07     0.01  -0.19   0.08    -0.01   0.01  -0.01
    26   1    -0.01  -0.02  -0.02     0.03  -0.03   0.03    -0.00  -0.01  -0.00
    27   1     0.01   0.17  -0.07    -0.01  -0.31   0.10    -0.00   0.01  -0.00
    28   1    -0.12   0.13   0.01    -0.22   0.14   0.04    -0.13  -0.16   0.08
    29   6    -0.01  -0.02  -0.03    -0.04  -0.06  -0.03    -0.02   0.08   0.07
    30   1     0.12   0.06   0.06     0.11  -0.05   0.08    -0.00  -0.33   0.09
    31   1     0.06  -0.06   0.06     0.07  -0.04   0.05     0.12   0.55  -0.02
    32   1     0.07   0.16   0.07     0.07   0.10   0.05     0.04  -0.24  -0.14
    33   1     0.01  -0.22   0.02     0.00  -0.30  -0.01     0.06   0.01  -0.17
                     31                     32                     33
                      A                      A                      A
 Frequencies --    852.4731               856.4455               874.0173
 Red. masses --      1.4927                 2.3570                 1.8588
 Frc consts  --      0.6391                 1.0186                 0.8366
 IR Inten    --      1.4285                 2.9442                15.4538
 RamAct Fr= 1--      3.2865                 8.1567                 2.1036
  Dep-P Fr= 1--      0.2826                 0.2022                 0.1186
  Dep-U Fr= 1--      0.4407                 0.3364                 0.2121
 Alpha2 Fr= 1--      0.0355                 0.1101                 0.0352
 Beta2  Fr= 1--      0.2414                 0.4573                 0.0744
 AlphaG Fr= 1--     -0.0582                -0.0095                -0.0532
 Gamma2 Fr= 1--      0.3109                 0.6713                -1.5415
 Delta2 Fr= 1--     -0.5275                 0.1143                -0.5945
 Raman1 Fr= 1--      13.146                 32.627                  8.414
 ROA1   Fr= 1--      12.969                 68.103               -167.004
 CID1   Fr= 1--       0.987                  2.087                -19.847
 Raman2 Fr= 1--       2.897                  5.487                  0.892
 ROA2   Fr= 1--      11.682                 15.198                -32.239
 CID2   Fr= 1--       4.033                  2.770                -36.129
 Raman3 Fr= 1--       5.794                 10.974                  1.785
 ROA3   Fr= 1--      12.969                 68.103               -167.004
 CID3   Fr= 1--       2.238                  6.206                -93.577
 RC180  Fr= 1--      -0.119                 -0.327                 -0.576
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05  -0.08    -0.03  -0.09   0.08    -0.00  -0.08   0.03
     2   6    -0.02   0.03   0.01     0.02  -0.01  -0.00    -0.03   0.10   0.05
     3   6     0.02  -0.06  -0.08     0.02  -0.07   0.09     0.03  -0.07   0.03
     4   6    -0.00   0.03   0.02    -0.01  -0.04  -0.02    -0.03   0.08   0.04
     5   6    -0.02   0.01   0.06     0.01   0.13  -0.06     0.03  -0.04  -0.07
     6   6    -0.01   0.02   0.06    -0.03   0.11  -0.07     0.02  -0.06  -0.07
     7   6     0.03  -0.03   0.01    -0.08   0.01  -0.02    -0.04  -0.02  -0.09
     8   6     0.01  -0.02   0.01    -0.03   0.03  -0.03     0.01  -0.02   0.03
     9   6    -0.03  -0.01   0.00     0.05   0.03   0.00    -0.03  -0.01   0.02
    10   6     0.01   0.04  -0.00    -0.02  -0.06   0.01     0.01   0.05   0.01
    11   6    -0.04   0.02  -0.02     0.13  -0.02  -0.03     0.06   0.02  -0.04
    12   6     0.05   0.01   0.02    -0.08  -0.02   0.01     0.02   0.00   0.03
    13   8    -0.01   0.01  -0.01    -0.00  -0.03   0.05    -0.01  -0.02   0.02
    14   8    -0.01  -0.01  -0.01    -0.00   0.06   0.00    -0.01   0.02  -0.01
    15   1    -0.12   0.49   0.24    -0.16   0.10   0.13    -0.11   0.17   0.15
    16   1    -0.21   0.48   0.25     0.04   0.15   0.18    -0.01   0.23   0.18
    17   1     0.06  -0.31  -0.13     0.23  -0.32  -0.25    -0.09   0.41   0.19
    18   1     0.14  -0.30  -0.13     0.03  -0.39  -0.30    -0.17   0.41   0.20
    19   1     0.08  -0.05  -0.07    -0.15   0.04   0.05     0.09  -0.02   0.09
    20   1     0.05   0.04   0.01    -0.12  -0.03  -0.02    -0.05  -0.21  -0.11
    21   1     0.00  -0.00   0.02    -0.02   0.02  -0.03     0.18  -0.10  -0.02
    22   1    -0.07  -0.01  -0.02     0.14   0.02   0.03    -0.07  -0.03  -0.09
    23   1    -0.00   0.01  -0.00     0.02  -0.02   0.00     0.18   0.03  -0.02
    24   1    -0.02   0.00  -0.01     0.02  -0.02   0.01    -0.15  -0.03  -0.11
    25   1    -0.01   0.02  -0.01     0.01  -0.05   0.02     0.00   0.10  -0.06
    26   1    -0.01   0.03  -0.00     0.02  -0.02   0.01    -0.01  -0.06  -0.01
    27   1     0.00   0.10  -0.02    -0.00  -0.13   0.03     0.01   0.10  -0.05
    28   1    -0.07   0.05   0.01     0.20  -0.05  -0.07     0.05   0.04  -0.02
    29   6    -0.02  -0.03  -0.01     0.05   0.02  -0.01     0.02  -0.05  -0.03
    30   1     0.02  -0.02   0.02    -0.04   0.15  -0.06     0.01   0.08  -0.01
    31   1     0.02  -0.02   0.02    -0.11  -0.21  -0.04    -0.08  -0.24  -0.02
    32   1     0.03   0.03   0.02    -0.09   0.01   0.02    -0.05   0.02   0.04
    33   1    -0.00  -0.13   0.00    -0.03   0.28   0.08    -0.04   0.08   0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.7513               935.9746               954.5925
 Red. masses --      1.5352                 1.1989                 1.5936
 Frc consts  --      0.7290                 0.6188                 0.8556
 IR Inten    --      2.4651                 1.8143                 0.5134
 RamAct Fr= 1--      3.5901                 1.1646                 4.0642
  Dep-P Fr= 1--      0.7312                 0.5065                 0.7039
  Dep-U Fr= 1--      0.8447                 0.6724                 0.8262
 Alpha2 Fr= 1--      0.0012                 0.0056                 0.0033
 Beta2  Fr= 1--      0.5054                 0.1305                 0.5597
 AlphaG Fr= 1--     -0.0015                 0.0201                 0.0352
 Gamma2 Fr= 1--     -0.8499                -0.2948                -0.4738
 Delta2 Fr= 1--     -0.5271                -0.7215                 0.7763
 Raman1 Fr= 1--      14.361                  4.658                 16.257
 ROA1   Fr= 1--     -98.456                -51.394                -20.644
 CID1   Fr= 1--      -6.856                -11.033                 -1.270
 Raman2 Fr= 1--       6.065                  1.566                  6.716
 ROA2   Fr= 1--     -16.180                 -1.304                -17.581
 CID2   Fr= 1--      -2.668                 -0.833                 -2.618
 Raman3 Fr= 1--      12.131                  3.132                 13.432
 ROA3   Fr= 1--     -98.456                -51.394                -20.644
 CID3   Fr= 1--      -8.116                -16.407                 -1.537
 RC180  Fr= 1--       0.689                  0.345                  0.652
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.01    -0.00  -0.00   0.00    -0.03   0.08   0.03
     2   6    -0.02   0.03   0.03    -0.01   0.01   0.00     0.02  -0.00   0.00
     3   6    -0.01  -0.01   0.02     0.00  -0.01   0.01     0.01  -0.08  -0.07
     4   6    -0.01   0.01   0.02    -0.00   0.00   0.00    -0.00   0.02   0.02
     5   6     0.05   0.01  -0.03     0.01   0.00  -0.01    -0.01  -0.02   0.00
     6   6     0.02   0.01  -0.05     0.00   0.00  -0.01    -0.00   0.00  -0.00
     7   6    -0.06  -0.10   0.12    -0.02  -0.00   0.01     0.06  -0.07  -0.02
     8   6     0.01  -0.04  -0.03     0.05   0.01  -0.00    -0.08   0.06   0.01
     9   6     0.03  -0.00  -0.01    -0.04   0.03  -0.07     0.05   0.07   0.01
    10   6     0.03   0.03  -0.06     0.07   0.00   0.05    -0.05  -0.04   0.02
    11   6     0.01   0.01  -0.01     0.00   0.00   0.00     0.00   0.01   0.00
    12   6     0.01   0.00   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.04   0.02  -0.02     0.00  -0.01  -0.00     0.14  -0.45  -0.28
    16   1    -0.03   0.01   0.04     0.00   0.02   0.02    -0.20   0.47   0.26
    17   1     0.05   0.16   0.09     0.01   0.03   0.02    -0.04   0.07   0.05
    18   1    -0.01   0.13   0.01     0.00   0.01  -0.00     0.00  -0.01  -0.01
    19   1    -0.11  -0.20  -0.46    -0.05   0.00   0.00     0.05  -0.09  -0.14
    20   1    -0.01   0.46   0.19    -0.03   0.02   0.01     0.15   0.03  -0.02
    21   1    -0.18   0.23   0.05    -0.21  -0.28   0.00    -0.14   0.05   0.02
    22   1     0.03   0.01   0.04     0.29   0.04   0.19     0.35   0.04   0.07
    23   1    -0.09  -0.01   0.02    -0.41  -0.22  -0.01     0.02  -0.09  -0.00
    24   1     0.13   0.02   0.08     0.02  -0.11   0.14    -0.11  -0.11   0.01
    25   1    -0.05  -0.27   0.16    -0.15  -0.07  -0.13     0.05   0.12  -0.03
    26   1    -0.03   0.35   0.02    -0.19  -0.40   0.01     0.04  -0.07  -0.00
    27   1    -0.04   0.11   0.11    -0.02   0.44  -0.21     0.01  -0.21   0.02
    28   1     0.02   0.03   0.00     0.00   0.00   0.00     0.01   0.03   0.01
    29   6     0.00  -0.01  -0.01    -0.00  -0.00  -0.00     0.00  -0.02  -0.01
    30   1     0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   1    -0.01  -0.07   0.00    -0.00  -0.01   0.00    -0.01  -0.05  -0.00
    32   1    -0.00   0.03   0.02     0.00   0.00   0.00    -0.01   0.01   0.01
    33   1    -0.01  -0.01   0.02    -0.00  -0.00   0.00    -0.01  -0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    960.5708               971.7720               978.2021
 Red. masses --      1.6253                 1.4883                 1.3889
 Frc consts  --      0.8836                 0.8281                 0.7830
 IR Inten    --      0.1020                 0.0390                 0.1205
 RamAct Fr= 1--      2.4610                 2.1696                 0.6626
  Dep-P Fr= 1--      0.7328                 0.6387                 0.7142
  Dep-U Fr= 1--      0.8458                 0.7795                 0.8333
 Alpha2 Fr= 1--      0.0007                 0.0044                 0.0004
 Beta2  Fr= 1--      0.3469                 0.2819                 0.0920
 AlphaG Fr= 1--     -0.0054                 0.0158                 0.0064
 Gamma2 Fr= 1--     -1.6112                -1.0294                 0.9209
 Delta2 Fr= 1--     -0.6244                -0.1077                -0.2586
 Raman1 Fr= 1--       9.844                  8.678                  2.651
 ROA1   Fr= 1--    -174.652               -102.265                 80.133
 CID1   Fr= 1--     -17.742                -11.784                 30.233
 Raman2 Fr= 1--       4.163                  3.382                  1.104
 ROA2   Fr= 1--     -33.672                -23.844                 24.171
 CID2   Fr= 1--      -8.088                 -7.049                 21.887
 Raman3 Fr= 1--       8.326                  6.765                  2.209
 ROA3   Fr= 1--    -174.652               -102.265                 80.133
 CID3   Fr= 1--     -20.976                -15.117                 36.280
 RC180  Fr= 1--       0.692                  0.559                  0.667
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07  -0.06     0.00  -0.01  -0.00    -0.01   0.00   0.01
     2   6     0.01   0.03   0.02    -0.01   0.00   0.00     0.01  -0.02  -0.01
     3   6    -0.04   0.08   0.02     0.00   0.00   0.01     0.00  -0.00   0.00
     4   6     0.00  -0.01   0.00    -0.00   0.00   0.00     0.00   0.02   0.01
     5   6    -0.00  -0.04  -0.01     0.01  -0.01  -0.02     0.03  -0.10  -0.06
     6   6    -0.01   0.02   0.01    -0.00   0.01  -0.00    -0.03   0.10   0.05
     7   6     0.06  -0.09  -0.03    -0.01  -0.02   0.00    -0.01   0.03   0.01
     8   6    -0.08   0.06   0.01    -0.07  -0.07   0.00     0.03   0.00  -0.00
     9   6     0.04   0.09   0.02     0.12  -0.04  -0.04    -0.02  -0.02  -0.00
    10   6    -0.04  -0.03   0.02    -0.06   0.11   0.03     0.01  -0.01  -0.01
    11   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.02   0.01
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.16   0.46   0.23    -0.01   0.03   0.02     0.01  -0.06  -0.02
    16   1     0.10  -0.39  -0.24     0.02  -0.02  -0.00    -0.00   0.04   0.02
    17   1    -0.07   0.16   0.10    -0.01   0.09   0.04    -0.20   0.58   0.30
    18   1     0.03  -0.10  -0.05     0.02  -0.05  -0.04     0.18  -0.56  -0.31
    19   1     0.10  -0.12  -0.16    -0.02  -0.03  -0.03    -0.05   0.05   0.07
    20   1     0.18   0.01  -0.04    -0.03   0.00   0.01    -0.05  -0.00   0.01
    21   1    -0.13   0.04   0.02    -0.23  -0.23   0.01     0.06   0.03  -0.01
    22   1     0.40   0.04   0.05    -0.19   0.04   0.12    -0.10  -0.01  -0.03
    23   1     0.06  -0.10  -0.01    -0.17   0.09   0.05    -0.00   0.02  -0.00
    24   1    -0.19  -0.15  -0.02     0.51   0.22   0.18    -0.00   0.02  -0.01
    25   1     0.04   0.10  -0.03     0.14   0.52  -0.17    -0.02  -0.08   0.03
    26   1     0.02  -0.08  -0.00     0.11  -0.13  -0.05    -0.01   0.03   0.01
    27   1     0.01  -0.17   0.01     0.07  -0.18  -0.11    -0.01   0.03   0.01
    28   1     0.00   0.00   0.01     0.00   0.01   0.01     0.01   0.05   0.03
    29   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.02  -0.01
    30   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   1     0.00   0.00   0.00     0.00  -0.01   0.00    -0.01  -0.05   0.00
    32   1     0.01   0.01   0.00     0.00   0.00   0.00     0.00   0.01   0.01
    33   1     0.00  -0.00  -0.00    -0.00  -0.01   0.00    -0.01  -0.03   0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.7985              1046.2099              1084.0010
 Red. masses --      1.9238                 2.8154                 2.1082
 Frc consts  --      1.1673                 1.8156                 1.4596
 IR Inten    --      2.6223                 4.1554                64.6854
 RamAct Fr= 1--     14.3397                 0.0332                 2.7787
  Dep-P Fr= 1--      0.2635                 0.7277                 0.7370
  Dep-U Fr= 1--      0.4171                 0.8424                 0.8486
 Alpha2 Fr= 1--      0.1636                 0.0000                 0.0006
 Beta2  Fr= 1--      0.9969                 0.0047                 0.3930
 AlphaG Fr= 1--      0.0071                -0.0001                 0.0115
 Gamma2 Fr= 1--     -0.3959                -0.1711                -2.4015
 Delta2 Fr= 1--     -1.5598                 0.1491                 0.3743
 Raman1 Fr= 1--      57.359                  0.133                 11.115
 ROA1   Fr= 1--     -87.921                -11.658               -218.567
 CID1   Fr= 1--      -1.533                -87.901                -19.664
 Raman2 Fr= 1--      11.963                  0.056                  4.716
 ROA2   Fr= 1--       2.976                 -5.300                -60.631
 CID2   Fr= 1--       0.249                -94.875                -12.856
 Raman3 Fr= 1--      23.927                  0.112                  9.432
 ROA3   Fr= 1--     -87.921                -11.658               -218.567
 CID3   Fr= 1--      -3.675               -104.350                -23.172
 RC180  Fr= 1--      -0.166                  0.685                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.03     0.05   0.11  -0.17    -0.05  -0.03   0.02
     2   6     0.00   0.01  -0.01    -0.03  -0.01  -0.00     0.00   0.01  -0.04
     3   6     0.00  -0.02   0.01     0.01  -0.09   0.17     0.02  -0.02   0.05
     4   6    -0.07   0.02  -0.03    -0.04  -0.01  -0.00     0.05   0.02  -0.03
     5   6     0.01  -0.04   0.02     0.05   0.11  -0.17    -0.02  -0.00   0.00
     6   6     0.04  -0.01   0.07     0.00  -0.09   0.17     0.01  -0.01   0.03
     7   6    -0.01  -0.00  -0.00     0.01   0.00   0.01     0.02   0.01  -0.03
     8   6    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.02  -0.01   0.03
     9   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.01   0.01  -0.01
    10   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.00  -0.02
    11   6    -0.04  -0.11  -0.14     0.01   0.00   0.03     0.05   0.18  -0.08
    12   6     0.06   0.01   0.06    -0.01   0.00  -0.00    -0.04   0.07   0.03
    13   8    -0.03  -0.02   0.02     0.00   0.00  -0.01    -0.00   0.00   0.00
    14   8    -0.02   0.03  -0.00     0.00  -0.00   0.00     0.02  -0.10   0.02
    15   1     0.01   0.01  -0.06    -0.20   0.14  -0.37    -0.19  -0.01  -0.08
    16   1     0.00   0.05   0.04    -0.29  -0.24   0.24     0.08  -0.01   0.03
    17   1    -0.02   0.10   0.12    -0.19   0.14  -0.36    -0.17  -0.00  -0.14
    18   1     0.13  -0.04   0.02    -0.30  -0.24   0.25     0.05   0.01   0.02
    19   1     0.02  -0.01  -0.01     0.00   0.01   0.01     0.22  -0.03   0.01
    20   1    -0.04   0.01   0.01     0.09  -0.01  -0.01    -0.20  -0.02   0.01
    21   1    -0.03   0.01   0.01     0.02  -0.01  -0.01    -0.13   0.08   0.07
    22   1     0.01   0.00   0.01    -0.00  -0.00  -0.01     0.05   0.02   0.04
    23   1    -0.02  -0.00   0.00     0.02   0.00  -0.00    -0.06  -0.02   0.00
    24   1     0.02   0.00   0.01    -0.02  -0.00  -0.01     0.04  -0.01   0.04
    25   1    -0.00  -0.02   0.01     0.00   0.02  -0.01    -0.01  -0.08   0.05
    26   1    -0.00   0.02   0.00     0.00  -0.02  -0.00    -0.01   0.11   0.00
    27   1    -0.00   0.01   0.01     0.00  -0.01  -0.00    -0.01   0.02   0.04
    28   1    -0.24  -0.50  -0.33     0.06   0.08   0.06     0.15  -0.10  -0.28
    29   6     0.08   0.10   0.07     0.01  -0.01  -0.02    -0.05  -0.10   0.08
    30   1    -0.01   0.07  -0.01    -0.00  -0.01   0.00     0.01   0.27  -0.12
    31   1    -0.11   0.19  -0.12    -0.01  -0.09   0.01     0.03   0.33  -0.06
    32   1    -0.13  -0.23  -0.10    -0.00   0.07   0.03     0.02  -0.48  -0.18
    33   1     0.03   0.54  -0.07    -0.01  -0.01   0.04     0.04  -0.12  -0.24
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1097.2443              1106.9971              1138.3399
 Red. masses --      1.5699                 1.8126                 2.1664
 Frc consts  --      1.1136                 1.3087                 1.6540
 IR Inten    --     13.5013                30.6344                 2.9823
 RamAct Fr= 1--      2.6000                 5.1324                23.4171
  Dep-P Fr= 1--      0.6456                 0.1404                 0.3564
  Dep-U Fr= 1--      0.7846                 0.2463                 0.5255
 Alpha2 Fr= 1--      0.0049                 0.0813                 0.2014
 Beta2  Fr= 1--      0.3400                 0.2107                 2.0509
 AlphaG Fr= 1--     -0.0024                 0.0849                -0.0799
 Gamma2 Fr= 1--      1.4256                -0.5110                 1.8353
 Delta2 Fr= 1--      1.9854                 0.8650                 0.8915
 Raman1 Fr= 1--      10.400                 20.530                 93.668
 ROA1   Fr= 1--     200.391                -21.377                204.720
 CID1   Fr= 1--      19.268                 -1.041                  2.186
 Raman2 Fr= 1--       4.080                  2.528                 24.611
 ROA2   Fr= 1--      18.331                -19.184                 36.917
 CID2   Fr= 1--       4.493                 -7.588                  1.500
 Raman3 Fr= 1--       8.160                  5.056                 49.222
 ROA3   Fr= 1--     200.391                -21.377                204.720
 CID3   Fr= 1--      24.557                 -4.228                  4.159
 RC180  Fr= 1--       0.569                 -0.507                  0.051
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.02     0.02   0.02  -0.03    -0.03  -0.03   0.00
     2   6    -0.02  -0.02   0.04    -0.01  -0.01   0.05    -0.03   0.05   0.00
     3   6    -0.01  -0.00  -0.02    -0.03   0.01  -0.02     0.03  -0.01   0.03
     4   6     0.03   0.02   0.06    -0.03  -0.04  -0.01     0.02   0.02  -0.01
     5   6     0.03   0.01  -0.03     0.02   0.01   0.02    -0.02  -0.01  -0.00
     6   6    -0.02   0.02  -0.05     0.01   0.01  -0.03     0.02  -0.01   0.00
     7   6    -0.00  -0.02   0.04    -0.02  -0.03   0.07     0.04  -0.09  -0.05
     8   6     0.03   0.02  -0.05     0.04   0.04  -0.07     0.14   0.17   0.07
     9   6    -0.02  -0.01   0.02    -0.02  -0.02   0.02    -0.06  -0.06  -0.10
    10   6    -0.01  -0.01   0.03    -0.02  -0.01   0.05    -0.07  -0.07   0.04
    11   6     0.06  -0.06  -0.08    -0.03   0.13   0.00    -0.00  -0.00   0.00
    12   6     0.02  -0.00   0.02    -0.03   0.06   0.01     0.01  -0.03  -0.01
    13   8    -0.02  -0.02   0.03     0.01   0.02  -0.03    -0.00  -0.00   0.01
    14   8    -0.01   0.01   0.00     0.01  -0.07   0.01    -0.00   0.03  -0.01
    15   1     0.04   0.01   0.02     0.08   0.02   0.01    -0.18   0.04  -0.07
    16   1    -0.17  -0.03   0.04    -0.12  -0.07  -0.02     0.16   0.06   0.00
    17   1     0.08   0.06   0.05     0.18  -0.04   0.12    -0.14   0.01  -0.10
    18   1    -0.12  -0.01  -0.02     0.02   0.04  -0.02     0.15   0.12   0.00
    19   1    -0.27   0.03  -0.02    -0.42   0.04  -0.05    -0.21  -0.02  -0.04
    20   1     0.28   0.04   0.00     0.38   0.07   0.01    -0.10   0.08   0.00
    21   1     0.17  -0.07  -0.09     0.24  -0.08  -0.12     0.13   0.46   0.12
    22   1    -0.07  -0.02  -0.05    -0.11  -0.03  -0.07    -0.24   0.01   0.10
    23   1     0.07   0.03  -0.00     0.09   0.04  -0.00    -0.41   0.01   0.00
    24   1    -0.05   0.01  -0.05    -0.06   0.02  -0.07     0.20   0.07   0.09
    25   1     0.01   0.11  -0.06     0.02   0.15  -0.08     0.09   0.11   0.02
    26   1     0.02  -0.15  -0.00     0.03  -0.22  -0.00     0.09  -0.14   0.00
    27   1     0.02  -0.05  -0.05     0.03  -0.07  -0.08     0.01  -0.30   0.04
    28   1     0.33  -0.18  -0.22    -0.11   0.04  -0.03    -0.08   0.02   0.04
    29   6    -0.10   0.05   0.03     0.07  -0.08   0.02    -0.01   0.00   0.00
    30   1    -0.00   0.10  -0.03     0.00   0.13  -0.07     0.00  -0.09   0.04
    31   1     0.18   0.42   0.09    -0.16  -0.19  -0.13     0.01   0.02   0.01
    32   1     0.21   0.02  -0.05    -0.18  -0.25  -0.04     0.01   0.00  -0.00
    33   1     0.04  -0.37  -0.15    -0.01   0.31   0.01     0.00  -0.02  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1148.3705              1161.5098              1193.8617
 Red. masses --      1.5710                 2.0470                 1.7705
 Frc consts  --      1.2207                 1.6271                 1.4868
 IR Inten    --     51.5400               152.8042                 9.1549
 RamAct Fr= 1--      2.1616                 1.8009                 3.9792
  Dep-P Fr= 1--      0.4054                 0.7105                 0.4878
  Dep-U Fr= 1--      0.5770                 0.8308                 0.6557
 Alpha2 Fr= 1--      0.0157                 0.0012                 0.0208
 Beta2  Fr= 1--      0.2079                 0.2494                 0.4349
 AlphaG Fr= 1--     -0.0158                 0.0079                -0.0036
 Gamma2 Fr= 1--     -1.6143                -1.8275                 2.0351
 Delta2 Fr= 1--     -0.8815                -0.5908                -0.6797
 Raman1 Fr= 1--       8.646                  7.204                 15.917
 ROA1   Fr= 1--    -183.182               -194.348                173.622
 CID1   Fr= 1--     -21.186                -26.980                 10.908
 Raman2 Fr= 1--       2.494                  2.992                  5.219
 ROA2   Fr= 1--     -31.692                -39.134                 54.281
 CID2   Fr= 1--     -12.705                -13.078                 10.402
 Raman3 Fr= 1--       4.989                  5.984                 10.437
 ROA3   Fr= 1--    -183.182               -194.348                173.622
 CID3   Fr= 1--     -36.720                -32.475                 16.635
 RC180  Fr= 1--       0.154                  0.662                  0.311
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.02   0.01    -0.03  -0.00  -0.01     0.00  -0.00   0.00
     2   6    -0.01   0.00   0.01     0.01   0.00  -0.00     0.01   0.00  -0.01
     3   6    -0.05   0.00  -0.04     0.04   0.01  -0.01    -0.00  -0.00   0.00
     4   6    -0.04  -0.02   0.02    -0.05  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.05   0.02  -0.01    -0.05  -0.02  -0.01    -0.00  -0.00   0.00
     6   6    -0.05  -0.01  -0.01     0.05   0.00   0.02    -0.00  -0.00   0.01
     7   6     0.02  -0.00  -0.07    -0.01  -0.01   0.02    -0.03   0.02   0.05
     8   6     0.02   0.03   0.07     0.00   0.00  -0.02     0.15  -0.12   0.01
     9   6    -0.01  -0.01  -0.05    -0.00  -0.00   0.01    -0.06   0.09  -0.04
    10   6    -0.01  -0.02  -0.02    -0.00   0.00   0.01    -0.10   0.04  -0.04
    11   6    -0.00  -0.02   0.00     0.00  -0.12   0.05     0.00  -0.00   0.00
    12   6    -0.02   0.08   0.03    -0.05   0.15   0.05    -0.00   0.00   0.00
    13   8     0.01   0.01  -0.02     0.02   0.02  -0.05     0.00   0.00  -0.00
    14   8     0.00  -0.07   0.02     0.01  -0.12   0.05     0.00  -0.00   0.00
    15   1     0.42  -0.01   0.29    -0.18   0.01  -0.13     0.02  -0.00   0.02
    16   1    -0.29  -0.10   0.02     0.34   0.18  -0.07    -0.01  -0.00   0.00
    17   1     0.30   0.01   0.19    -0.24   0.01  -0.14    -0.02  -0.00  -0.01
    18   1    -0.35  -0.14   0.06     0.30   0.12  -0.03    -0.01  -0.02   0.01
    19   1     0.14  -0.00   0.05    -0.05  -0.00  -0.02     0.04  -0.00   0.01
    20   1    -0.21  -0.06  -0.04     0.05   0.02   0.01    -0.23   0.11   0.10
    21   1    -0.07   0.18   0.11     0.02  -0.02  -0.02     0.34  -0.27  -0.05
    22   1    -0.03   0.02   0.08    -0.01  -0.01  -0.02     0.34   0.04   0.06
    23   1    -0.19  -0.02   0.00     0.03   0.01   0.00    -0.18  -0.25  -0.06
    24   1     0.11   0.01   0.07    -0.01   0.00  -0.01    -0.23  -0.21   0.05
    25   1     0.02  -0.06   0.06    -0.00   0.02  -0.01     0.18   0.29   0.04
    26   1     0.02   0.10   0.00    -0.00  -0.04   0.00     0.23   0.21  -0.06
    27   1    -0.01  -0.06   0.07     0.00   0.00  -0.02     0.01  -0.35   0.05
    28   1     0.18  -0.07  -0.07     0.30  -0.17  -0.06     0.00  -0.00  -0.00
    29   6     0.01   0.01  -0.02     0.01   0.06  -0.07     0.00   0.00  -0.00
    30   1    -0.01   0.22  -0.09    -0.03   0.43  -0.19    -0.00   0.01  -0.00
    31   1    -0.01  -0.06   0.00     0.04  -0.18   0.06     0.00  -0.00   0.00
    32   1    -0.00   0.08   0.03     0.04   0.32   0.09    -0.00   0.00   0.00
    33   1    -0.01   0.01   0.04    -0.03  -0.07   0.14    -0.00  -0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1211.9091              1221.8476              1236.4767
 Red. masses --      1.2765                 2.1191                 2.3417
 Frc consts  --      1.1046                 1.8640                 2.1094
 IR Inten    --      3.1718                10.3187                 1.3854
 RamAct Fr= 1--     60.7483                40.5449                38.4113
  Dep-P Fr= 1--      0.1092                 0.1775                 0.1441
  Dep-U Fr= 1--      0.1970                 0.3014                 0.2519
 Alpha2 Fr= 1--      1.0398                 0.5841                 0.6028
 Beta2  Fr= 1--      1.9941                 2.0370                 1.6123
 AlphaG Fr= 1--     -0.2137                -0.0671                -0.0970
 Gamma2 Fr= 1--      0.8032                 0.6453                -1.8247
 Delta2 Fr= 1--      0.3969                -0.0331                 0.2188
 Raman1 Fr= 1--     242.993                162.179                153.645
 ROA1   Fr= 1--      89.804                 60.883               -168.166
 CID1   Fr= 1--       0.370                  0.375                 -1.095
 Raman2 Fr= 1--      23.929                 24.444                 19.348
 ROA2   Fr= 1--      16.101                 15.751                -45.542
 CID2   Fr= 1--       0.673                  0.644                 -2.354
 Raman3 Fr= 1--      47.858                 48.887                 38.696
 ROA3   Fr= 1--      89.804                 60.883               -168.166
 CID3   Fr= 1--       1.876                  1.245                 -4.346
 RC180  Fr= 1--      -0.606                 -0.397                 -0.496
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.02  -0.04    -0.08  -0.03   0.02     0.05  -0.00   0.03
     2   6     0.04   0.01   0.01    -0.04  -0.01  -0.02     0.27   0.08   0.05
     3   6     0.02   0.03  -0.04     0.06   0.00   0.03    -0.07   0.01  -0.06
     4   6    -0.10  -0.03  -0.01     0.21   0.06   0.02     0.04   0.02  -0.01
     5   6     0.01  -0.02   0.03     0.08   0.01   0.04    -0.07  -0.05   0.04
     6   6    -0.01  -0.02   0.04    -0.10  -0.01  -0.04     0.03   0.00   0.01
     7   6    -0.02  -0.00  -0.01     0.02   0.01   0.02    -0.09  -0.04  -0.03
     8   6     0.00   0.00   0.00     0.00   0.00  -0.02     0.00   0.01  -0.06
     9   6     0.00  -0.00  -0.00    -0.00   0.00   0.01     0.01  -0.01   0.02
    10   6    -0.00  -0.00   0.00    -0.00   0.00   0.01     0.00  -0.00   0.03
    11   6     0.04   0.02   0.01    -0.08  -0.05  -0.01     0.01  -0.01   0.00
    12   6     0.00  -0.01  -0.00    -0.01   0.03   0.00    -0.01   0.00  -0.00
    13   8    -0.00  -0.00   0.01     0.01   0.01  -0.03     0.00   0.00  -0.00
    14   8     0.00   0.01  -0.01    -0.00  -0.04   0.02    -0.00  -0.01   0.01
    15   1    -0.29   0.06  -0.27    -0.40  -0.00  -0.23    -0.16   0.03  -0.14
    16   1     0.48   0.25  -0.16     0.04  -0.01   0.05    -0.39  -0.14   0.02
    17   1     0.37  -0.05   0.32     0.21   0.00   0.13    -0.30  -0.03  -0.14
    18   1    -0.36  -0.19   0.13    -0.48  -0.18   0.04    -0.29  -0.15   0.11
    19   1    -0.04  -0.00  -0.01     0.08  -0.02  -0.03    -0.23  -0.02  -0.05
    20   1    -0.06  -0.01  -0.00     0.02   0.01   0.02    -0.54   0.09   0.06
    21   1    -0.00   0.01   0.00     0.01   0.02  -0.01    -0.06   0.08  -0.04
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.02    -0.05  -0.02  -0.06
    23   1    -0.01  -0.00  -0.00     0.02   0.00  -0.00     0.07   0.04   0.01
    24   1     0.01   0.00   0.00    -0.02  -0.00  -0.01    -0.02   0.03  -0.05
    25   1     0.00   0.00   0.00    -0.00   0.03  -0.02    -0.03   0.05  -0.05
    26   1     0.00   0.00  -0.00     0.00  -0.04   0.00    -0.01  -0.12   0.01
    27   1    -0.00  -0.00   0.00     0.01  -0.01  -0.02     0.02   0.02  -0.07
    28   1     0.21   0.08   0.00    -0.48  -0.21  -0.01    -0.13  -0.05   0.01
    29   6    -0.01  -0.01   0.01     0.02   0.03  -0.03    -0.01   0.01  -0.01
    30   1     0.01  -0.06   0.03    -0.02   0.19  -0.08    -0.01   0.07  -0.03
    31   1     0.01   0.05   0.00    -0.03  -0.11  -0.01     0.01  -0.01   0.02
    32   1     0.03  -0.03  -0.01    -0.05   0.09   0.03     0.01   0.02  -0.00
    33   1     0.00  -0.00  -0.03    -0.01   0.02   0.06    -0.00  -0.04   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1248.7581              1280.3344              1309.5302
 Red. masses --      1.6085                 1.7853                 1.6109
 Frc consts  --      1.4779                 1.7242                 1.6276
 IR Inten    --      1.1141                 3.0147                 4.5494
 RamAct Fr= 1--      6.7556                 5.0527                 3.6463
  Dep-P Fr= 1--      0.4817                 0.5725                 0.7054
  Dep-U Fr= 1--      0.6502                 0.7282                 0.8273
 Alpha2 Fr= 1--      0.0362                 0.0169                 0.0028
 Beta2  Fr= 1--      0.7321                 0.6132                 0.5027
 AlphaG Fr= 1--      0.0287                 0.0211                 0.0017
 Gamma2 Fr= 1--      3.1004                 2.7137                -4.6776
 Delta2 Fr= 1--     -0.2253                 1.2499                -0.5626
 Raman1 Fr= 1--      27.023                 20.211                 14.585
 ROA1   Fr= 1--     290.433                300.512               -467.054
 CID1   Fr= 1--      10.748                 14.869                -32.022
 Raman2 Fr= 1--       8.785                  7.358                  6.033
 ROA2   Fr= 1--      76.213                 55.129               -107.761
 CID2   Fr= 1--       8.675                  7.492                -17.862
 Raman3 Fr= 1--      17.571                 14.717                 12.066
 ROA3   Fr= 1--     290.433                300.512               -467.054
 CID3   Fr= 1--      16.529                 20.420                -38.708
 RC180  Fr= 1--       0.300                  0.456                  0.655
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.03    -0.04  -0.00  -0.02    -0.03   0.00  -0.03
     2   6    -0.05   0.01  -0.09     0.01  -0.01   0.02     0.00  -0.02   0.03
     3   6    -0.01  -0.02   0.03     0.03   0.03  -0.03     0.03   0.02  -0.02
     4   6    -0.04   0.01  -0.04     0.07  -0.05   0.11     0.01  -0.04   0.09
     5   6     0.03   0.01   0.01    -0.00   0.02  -0.03    -0.02   0.01  -0.03
     6   6    -0.03  -0.02   0.03     0.01   0.02  -0.03     0.03   0.02  -0.02
     7   6     0.01  -0.01   0.06    -0.00   0.00  -0.00    -0.01   0.00  -0.00
     8   6     0.02   0.03  -0.14     0.00   0.00  -0.02    -0.00  -0.00  -0.00
     9   6    -0.01  -0.01   0.04    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   6    -0.01  -0.00   0.09    -0.00   0.00   0.01     0.00   0.00   0.01
    11   6     0.02  -0.00   0.01    -0.16   0.01  -0.01    -0.05  -0.06  -0.06
    12   6    -0.00  -0.00  -0.00     0.02   0.06   0.04     0.05  -0.11  -0.03
    13   8     0.00   0.00   0.00    -0.02  -0.04   0.03     0.01   0.05  -0.03
    14   8     0.00   0.00   0.00     0.02   0.01  -0.04    -0.03   0.00   0.05
    15   1     0.19  -0.04   0.16     0.04  -0.02   0.05     0.08  -0.01   0.06
    16   1     0.11   0.04  -0.00     0.10   0.05  -0.05     0.09   0.06  -0.04
    17   1     0.05   0.00   0.03    -0.22   0.04  -0.21    -0.12   0.02  -0.11
    18   1     0.01  -0.02   0.02    -0.20  -0.08   0.02    -0.12  -0.05   0.02
    19   1     0.53  -0.16  -0.17     0.11  -0.03  -0.02     0.11  -0.03  -0.02
    20   1    -0.37   0.21   0.15    -0.14   0.02   0.02    -0.04  -0.01   0.00
    21   1     0.05   0.27  -0.11     0.00   0.07  -0.01     0.06   0.06  -0.01
    22   1    -0.03  -0.04  -0.12    -0.00  -0.00  -0.02     0.01   0.00   0.00
    23   1     0.13   0.04   0.01     0.01   0.00   0.00    -0.01  -0.00  -0.00
    24   1    -0.08   0.04  -0.10    -0.01   0.01  -0.01     0.01   0.00   0.00
    25   1    -0.04   0.16  -0.13    -0.01   0.02  -0.02    -0.01   0.01  -0.01
    26   1     0.01  -0.32   0.01    -0.00  -0.04   0.00    -0.01  -0.02   0.00
    27   1     0.05  -0.03  -0.17     0.01  -0.00  -0.02     0.00   0.00  -0.01
    28   1     0.02   0.02   0.02     0.62  -0.01  -0.22     0.06   0.54   0.29
    29   6    -0.01  -0.00  -0.00     0.06  -0.00   0.01     0.02  -0.01   0.06
    30   1     0.00   0.00   0.00     0.03  -0.45   0.15    -0.07   0.59  -0.21
    31   1     0.02   0.01   0.01    -0.11  -0.09  -0.09    -0.06   0.14  -0.07
    32   1     0.02   0.01   0.00    -0.14  -0.07   0.01    -0.04  -0.15  -0.02
    33   1    -0.00  -0.02  -0.00     0.01   0.14   0.05     0.03   0.15  -0.08
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1318.7577              1349.4221              1363.5528
 Red. masses --      1.3452                 2.1929                 1.5531
 Frc consts  --      1.3784                 2.3527                 1.7014
 IR Inten    --      1.2367                 1.0689                 1.1628
 RamAct Fr= 1--     26.4038                 4.9765                 9.3292
  Dep-P Fr= 1--      0.2975                 0.5354                 0.5800
  Dep-U Fr= 1--      0.4586                 0.6974                 0.7342
 Alpha2 Fr= 1--      0.2728                 0.0206                 0.0297
 Beta2  Fr= 1--      2.0181                 0.5784                 1.1415
 AlphaG Fr= 1--      0.0861                -0.0763                -0.0375
 Gamma2 Fr= 1--      3.5146                -8.0167                 7.0263
 Delta2 Fr= 1--     -0.2343                -2.5404                 2.6836
 Raman1 Fr= 1--     105.615                 19.906                 37.317
 ROA1   Fr= 1--     329.900               -850.899                760.402
 CID1   Fr= 1--       3.124                -42.746                 20.377
 Raman2 Fr= 1--      24.217                  6.941                 13.698
 ROA2   Fr= 1--      86.223               -172.078                147.163
 CID2   Fr= 1--       3.560                -24.792                 10.743
 Raman3 Fr= 1--      48.434                 13.882                 27.397
 ROA3   Fr= 1--     329.900               -850.899                760.402
 CID3   Fr= 1--       6.811                -61.295                 27.755
 RC180  Fr= 1--      -0.083                  0.395                  0.468
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.06   0.01  -0.06     0.08  -0.01   0.06
     2   6     0.05  -0.03   0.02    -0.03  -0.10   0.16     0.01  -0.00   0.00
     3   6    -0.00   0.01  -0.01     0.12   0.06  -0.03    -0.03  -0.01  -0.01
     4   6    -0.00  -0.00   0.00    -0.02  -0.04   0.06     0.03   0.06  -0.09
     5   6    -0.02  -0.01   0.00    -0.10   0.01  -0.08     0.03  -0.00   0.02
     6   6     0.02   0.01  -0.00     0.07   0.04  -0.02    -0.09  -0.03   0.01
     7   6    -0.12   0.02   0.03     0.00   0.04  -0.04    -0.04   0.03  -0.02
     8   6    -0.06   0.01   0.04     0.05  -0.06  -0.03     0.05  -0.05  -0.01
     9   6     0.01  -0.01  -0.07    -0.01   0.01   0.02    -0.01   0.01   0.01
    10   6     0.01   0.00   0.01    -0.01   0.01   0.03    -0.01   0.01   0.01
    11   6     0.01   0.01   0.01     0.03   0.03   0.01    -0.06  -0.06  -0.02
    12   6    -0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.07   0.00  -0.07    -0.14   0.01  -0.12    -0.32   0.03  -0.25
    16   1    -0.10  -0.04   0.01    -0.32  -0.16   0.08    -0.24  -0.10   0.04
    17   1    -0.00  -0.01   0.02     0.32  -0.03   0.25     0.15  -0.01   0.11
    18   1     0.00  -0.02  -0.01     0.21   0.10  -0.06     0.32   0.15  -0.10
    19   1     0.50  -0.16  -0.19     0.18   0.01   0.05     0.05   0.00  -0.02
    20   1     0.33  -0.16  -0.08    -0.24  -0.06  -0.01     0.17  -0.13  -0.08
    21   1     0.60   0.18  -0.06    -0.30   0.41   0.11    -0.24   0.27   0.10
    22   1     0.04   0.03   0.12     0.03  -0.01  -0.07     0.02  -0.01  -0.03
    23   1    -0.14   0.00  -0.02     0.04  -0.05  -0.00     0.04  -0.04  -0.01
    24   1     0.16   0.02   0.09    -0.07  -0.02  -0.02    -0.02  -0.02   0.01
    25   1    -0.04  -0.03  -0.01     0.00   0.08  -0.04     0.01   0.03   0.01
    26   1    -0.05  -0.08   0.01     0.05  -0.07   0.00     0.06  -0.04  -0.01
    27   1     0.01   0.01   0.01     0.02   0.00  -0.09     0.01  -0.02  -0.05
    28   1    -0.05  -0.07  -0.03    -0.22  -0.19  -0.06     0.43   0.35   0.11
    29   6    -0.00   0.00  -0.01    -0.01  -0.01  -0.01     0.02  -0.00   0.03
    30   1     0.01  -0.04   0.02     0.00  -0.01   0.01    -0.00  -0.02   0.00
    31   1     0.01  -0.01   0.01     0.02  -0.01   0.02    -0.05   0.06  -0.06
    32   1     0.01   0.02   0.00     0.04   0.05   0.01    -0.05  -0.05   0.01
    33   1    -0.00  -0.02   0.01    -0.01  -0.01  -0.00     0.02   0.08  -0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1372.1878              1374.6008              1392.5982
 Red. masses --      1.4803                 1.3010                 1.9967
 Frc consts  --      1.6422                 1.4483                 2.2814
 IR Inten    --      0.7810                 3.4318                45.6123
 RamAct Fr= 1--     10.2262                19.1186                 6.5841
  Dep-P Fr= 1--      0.2456                 0.4669                 0.7356
  Dep-U Fr= 1--      0.3943                 0.6366                 0.8477
 Alpha2 Fr= 1--      0.1227                 0.1093                 0.0016
 Beta2  Fr= 1--      0.6720                 2.0283                 0.9302
 AlphaG Fr= 1--     -0.2564                -0.1666                 0.0199
 Gamma2 Fr= 1--     -4.3741                -1.3398                 2.4241
 Delta2 Fr= 1--     -0.0432                 1.7809                -2.0690
 Raman1 Fr= 1--      40.905                 76.474                 26.337
 ROA1   Fr= 1--    -421.295                -71.636                166.509
 CID1   Fr= 1--     -10.299                 -0.937                  6.322
 Raman2 Fr= 1--       8.065                 24.340                 11.162
 ROA2   Fr= 1--    -104.632                -46.403                 74.731
 CID2   Fr= 1--     -12.974                 -1.906                  6.695
 Raman3 Fr= 1--      16.129                 48.680                 22.325
 ROA3   Fr= 1--    -421.295                -71.636                166.509
 CID3   Fr= 1--     -26.120                 -1.472                  7.459
 RC180  Fr= 1--      -0.211                  0.273                  0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.00    -0.00   0.01  -0.01    -0.03  -0.00  -0.02
     2   6    -0.03   0.01   0.00     0.01   0.03  -0.04    -0.00   0.00   0.00
     3   6     0.00  -0.00   0.01    -0.04  -0.02   0.01     0.02   0.00   0.00
     4   6     0.00   0.01  -0.02    -0.01  -0.02   0.02    -0.01   0.00   0.02
     5   6     0.01   0.00  -0.00     0.03  -0.00   0.02    -0.01  -0.01   0.00
     6   6    -0.02  -0.01   0.00     0.01   0.01  -0.01     0.03   0.01  -0.01
     7   6     0.11  -0.01  -0.01    -0.04   0.03  -0.01    -0.00   0.00   0.00
     8   6    -0.12  -0.10  -0.00     0.04  -0.11  -0.01     0.00  -0.00  -0.00
     9   6     0.01   0.03  -0.04    -0.02   0.02   0.00    -0.00   0.00   0.00
    10   6     0.04  -0.01   0.03    -0.01   0.01   0.03    -0.00  -0.00   0.00
    11   6    -0.01  -0.01  -0.00     0.02   0.02   0.01     0.08  -0.11  -0.10
    12   6    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.11   0.18   0.05
    13   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.03   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.03  -0.03  -0.03
    15   1    -0.04   0.02  -0.02     0.18  -0.02   0.12     0.08  -0.02   0.07
    16   1    -0.03  -0.01   0.01     0.22   0.11  -0.06     0.01   0.02   0.02
    17   1     0.06  -0.00   0.04    -0.21   0.02  -0.16    -0.03   0.00  -0.00
    18   1     0.07   0.04  -0.01    -0.19  -0.09   0.04    -0.11  -0.06   0.03
    19   1    -0.40   0.14   0.16    -0.16   0.05  -0.01    -0.01   0.00  -0.00
    20   1    -0.29   0.13   0.08     0.36  -0.21  -0.12     0.03  -0.01  -0.01
    21   1     0.55   0.42  -0.05    -0.25   0.58   0.17    -0.02   0.02   0.01
    22   1     0.11   0.04   0.08     0.07  -0.00  -0.02     0.01  -0.00  -0.00
    23   1    -0.03  -0.06  -0.04     0.07  -0.10  -0.03     0.01  -0.00  -0.00
    24   1     0.07  -0.05   0.10    -0.00  -0.04   0.07     0.00   0.00   0.01
    25   1    -0.04   0.11  -0.15     0.02   0.10  -0.03     0.01   0.02  -0.01
    26   1    -0.09   0.06   0.06     0.06  -0.04   0.01     0.01   0.01   0.00
    27   1    -0.01   0.20  -0.07     0.01   0.05  -0.09    -0.00   0.01  -0.01
    28   1     0.06   0.06   0.02    -0.14  -0.13  -0.05    -0.36   0.54   0.40
    29   6     0.00  -0.00   0.00    -0.01   0.00  -0.01    -0.01   0.03   0.06
    30   1     0.00  -0.01   0.00    -0.00   0.02  -0.01     0.04  -0.42   0.14
    31   1    -0.01   0.01  -0.01     0.01  -0.04   0.02    -0.07   0.00   0.00
    32   1    -0.01  -0.00   0.00     0.01   0.00  -0.01     0.11  -0.17  -0.09
    33   1     0.00   0.01  -0.01    -0.01  -0.04   0.02     0.07  -0.02  -0.18
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.4847              1415.9926              1423.2318
 Red. masses --      1.2586                 1.2214                 1.2349
 Frc consts  --      1.4607                 1.4429                 1.4737
 IR Inten    --      5.1203                11.0293                 6.5144
 RamAct Fr= 1--      0.1254                 1.5576                 1.8439
  Dep-P Fr= 1--      0.6027                 0.5064                 0.4507
  Dep-U Fr= 1--      0.7521                 0.6723                 0.6213
 Alpha2 Fr= 1--      0.0003                 0.0075                 0.0113
 Beta2  Fr= 1--      0.0157                 0.1745                 0.1909
 AlphaG Fr= 1--     -0.0019                 0.0111                -0.0069
 Gamma2 Fr= 1--      0.0959                -0.0540                -0.0319
 Delta2 Fr= 1--     -0.0156                 0.1285                 0.1655
 Raman1 Fr= 1--       0.502                  6.231                  7.375
 ROA1   Fr= 1--       8.713                 -1.068                  2.237
 CID1   Fr= 1--      17.364                 -0.171                  0.303
 Raman2 Fr= 1--       0.189                  2.094                  2.291
 ROA2   Fr= 1--       2.427                 -2.323                 -2.089
 CID2   Fr= 1--      12.864                 -1.109                 -0.912
 Raman3 Fr= 1--       0.377                  4.189                  4.583
 ROA3   Fr= 1--       8.713                 -1.068                  2.237
 CID3   Fr= 1--      23.088                 -0.255                  0.488
 RC180  Fr= 1--       0.504                  0.345                  0.243
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00     0.00   0.00   0.00
     2   6     0.00  -0.00   0.00     0.00   0.01  -0.01     0.01  -0.00  -0.00
     3   6     0.00   0.00  -0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.01     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.01  -0.01   0.00    -0.00  -0.00   0.00    -0.02   0.00   0.00
     8   6     0.02   0.03  -0.00     0.00  -0.00   0.00     0.00   0.01  -0.00
     9   6    -0.10  -0.04  -0.01    -0.00   0.00  -0.00     0.09   0.02   0.02
    10   6    -0.02  -0.09   0.01     0.00   0.00  -0.00    -0.01  -0.10   0.02
    11   6    -0.00   0.00   0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.01   0.03  -0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00  -0.00    -0.00  -0.01   0.01    -0.00  -0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00  -0.00
    15   1    -0.01  -0.00  -0.00     0.02  -0.01   0.02    -0.00  -0.00  -0.00
    16   1    -0.01  -0.01   0.00    -0.01  -0.01   0.01     0.00   0.00  -0.00
    17   1     0.01  -0.00   0.01    -0.03  -0.01  -0.02    -0.01   0.00  -0.01
    18   1     0.01   0.00  -0.00    -0.04  -0.02   0.01     0.00  -0.00  -0.00
    19   1     0.07  -0.03  -0.01    -0.02   0.00  -0.01     0.10  -0.02   0.01
    20   1     0.01   0.02   0.00     0.02  -0.01  -0.00     0.07   0.02  -0.01
    21   1    -0.05  -0.09  -0.01    -0.00   0.01   0.00    -0.02  -0.02  -0.01
    22   1     0.39  -0.07   0.12     0.00  -0.00   0.00    -0.36   0.05  -0.11
    23   1     0.39   0.18  -0.09     0.01  -0.00  -0.00    -0.37  -0.10   0.10
    24   1     0.30   0.25   0.15     0.00  -0.00   0.01    -0.27  -0.18  -0.20
    25   1     0.17   0.29  -0.14    -0.00  -0.00   0.00     0.16   0.33  -0.21
    26   1     0.11   0.36   0.07    -0.00  -0.01  -0.00     0.07   0.41   0.10
    27   1    -0.11   0.34  -0.11     0.00  -0.01   0.00    -0.12   0.37  -0.13
    28   1     0.01  -0.01  -0.01    -0.04   0.03   0.02     0.00  -0.00  -0.00
    29   6     0.00  -0.00  -0.00    -0.02  -0.13  -0.02    -0.00  -0.00  -0.00
    30   1    -0.00   0.01  -0.00     0.01  -0.05   0.02     0.00   0.00   0.00
    31   1     0.00   0.00  -0.00     0.22   0.54  -0.11     0.00   0.01  -0.00
    32   1    -0.00   0.00   0.00     0.09   0.47   0.32     0.00   0.01   0.01
    33   1    -0.00   0.00   0.00    -0.14   0.52   0.04    -0.00   0.01   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.1315              1485.4457              1490.0566
 Red. masses --      2.4817                 1.0759                 1.0464
 Frc consts  --      3.1173                 1.3987                 1.3689
 IR Inten    --      8.7795                 0.4975                 1.5185
 RamAct Fr= 1--      0.5114                 1.9079                12.2380
  Dep-P Fr= 1--      0.7061                 0.6166                 0.7254
  Dep-U Fr= 1--      0.8277                 0.7629                 0.8409
 Alpha2 Fr= 1--      0.0004                 0.0047                 0.0052
 Beta2  Fr= 1--      0.0705                 0.2426                 1.7151
 AlphaG Fr= 1--     -0.0142                -0.0432                 0.0069
 Gamma2 Fr= 1--      2.3694                -1.3848                -2.6188
 Delta2 Fr= 1--     -1.2199                 0.3448                 0.8571
 Raman1 Fr= 1--       2.046                  7.631                 48.952
 ROA1   Fr= 1--     188.423               -121.912               -223.974
 CID1   Fr= 1--      92.113                -15.975                 -4.575
 Raman2 Fr= 1--       0.847                  2.911                 20.581
 ROA2   Fr= 1--      66.624                -35.994                -69.707
 CID2   Fr= 1--      78.699                -12.366                 -3.387
 Raman3 Fr= 1--       1.693                  5.822                 41.162
 ROA3   Fr= 1--     188.423               -121.912               -223.974
 CID3   Fr= 1--     111.287                -20.941                 -5.441
 RC180  Fr= 1--       0.655                  0.526                  0.682
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.04  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.01  -0.08   0.13     0.01  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.13  -0.01  -0.06     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.02  -0.08   0.13     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.14   0.04   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.13  -0.01  -0.06     0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.01   0.01  -0.04    -0.04  -0.04  -0.03    -0.01  -0.01  -0.01
     8   6    -0.00   0.01  -0.00     0.01   0.01   0.00     0.01   0.00  -0.00
     9   6    -0.00  -0.01   0.00    -0.02   0.03   0.01     0.01  -0.00  -0.04
    10   6    -0.00   0.00   0.00     0.03  -0.00  -0.00    -0.00   0.01   0.03
    11   6     0.04   0.02  -0.03    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.01   0.02   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1    -0.20   0.09  -0.28    -0.00  -0.00   0.00     0.00  -0.00   0.00
    16   1     0.31   0.21  -0.18    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1    -0.24   0.09  -0.31     0.00  -0.00   0.01     0.00  -0.00   0.01
    18   1     0.28   0.19  -0.18    -0.02  -0.01   0.01    -0.01  -0.00   0.01
    19   1     0.18  -0.00   0.10     0.16   0.02   0.42     0.06   0.01   0.18
    20   1    -0.22   0.09   0.02     0.18   0.42   0.01     0.07   0.18   0.01
    21   1     0.02  -0.02  -0.01    -0.03  -0.00   0.01    -0.05  -0.03   0.00
    22   1     0.04  -0.01  -0.00    -0.07  -0.05  -0.30    -0.19   0.13   0.44
    23   1    -0.02   0.04   0.01     0.09  -0.38  -0.07     0.21   0.22  -0.04
    24   1     0.00   0.04  -0.04     0.16   0.04   0.19    -0.12  -0.35   0.18
    25   1    -0.03  -0.02  -0.01    -0.10   0.10  -0.24    -0.30  -0.15  -0.17
    26   1     0.01   0.01   0.00    -0.35   0.08   0.08     0.14   0.21   0.03
    27   1     0.02  -0.02  -0.04     0.02  -0.16   0.18     0.15  -0.18  -0.38
    28   1    -0.35  -0.09   0.00     0.01   0.00   0.00     0.00  -0.00  -0.00
    29   6    -0.01  -0.01  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.01  -0.04   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.03   0.01   0.02     0.00   0.00  -0.00    -0.02   0.01  -0.02
    32   1     0.08   0.03   0.01    -0.01  -0.00   0.00    -0.02   0.01   0.01
    33   1    -0.01   0.06  -0.04    -0.00  -0.00   0.01     0.01  -0.02  -0.01
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.2168              1497.6543              1498.9530
 Red. masses --      1.0465                 1.0756                 1.0553
 Frc consts  --      1.3730                 1.4214                 1.3970
 IR Inten    --      5.0106                 3.7138                 8.1044
 RamAct Fr= 1--      5.1138                 3.2471                 6.3764
  Dep-P Fr= 1--      0.5998                 0.7153                 0.6251
  Dep-U Fr= 1--      0.7498                 0.8340                 0.7693
 Alpha2 Fr= 1--      0.0142                 0.0019                 0.0145
 Beta2  Fr= 1--      0.6391                 0.4513                 0.8176
 AlphaG Fr= 1--     -0.0059                -0.0112                 0.0979
 Gamma2 Fr= 1--     -0.5554                -1.2068                 2.3623
 Delta2 Fr= 1--     -1.4435                 0.3974                 2.0968
 Raman1 Fr= 1--      20.455                 12.988                 25.506
 ROA1   Fr= 1--     -99.510               -103.136                293.874
 CID1   Fr= 1--      -4.865                 -7.941                 11.522
 Raman2 Fr= 1--       7.669                  5.416                  9.811
 ROA2   Fr= 1--      -1.781                -32.143                 39.920
 CID2   Fr= 1--      -0.232                 -5.935                  4.069
 Raman3 Fr= 1--      15.338                 10.832                 19.621
 ROA3   Fr= 1--     -99.510               -103.136                293.874
 CID3   Fr= 1--      -6.488                 -9.521                 14.977
 RC180  Fr= 1--       0.500                  0.668                  0.539
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.01  -0.00  -0.00     0.01  -0.00  -0.01    -0.00  -0.00   0.01
     3   6     0.01   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.01  -0.01    -0.01  -0.00   0.00
     5   6     0.01  -0.00   0.01    -0.01  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.01   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.00   0.00    -0.03  -0.03  -0.04     0.00   0.01   0.00
     8   6     0.00   0.00  -0.00    -0.02  -0.02   0.00     0.00   0.00  -0.00
     9   6    -0.00   0.00  -0.00     0.01  -0.02   0.01    -0.00   0.00  -0.00
    10   6     0.00   0.00   0.00    -0.03   0.01  -0.00     0.00  -0.00   0.00
    11   6    -0.02   0.00  -0.01     0.00  -0.00  -0.00     0.02  -0.01  -0.03
    12   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    13   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    14   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.02  -0.00  -0.01     0.01  -0.00   0.01     0.00   0.00  -0.00
    16   1    -0.03  -0.02   0.01    -0.00  -0.00   0.00     0.01   0.01  -0.00
    17   1    -0.01  -0.00  -0.01     0.01  -0.00   0.01     0.00   0.01   0.01
    18   1    -0.02  -0.01   0.00    -0.03  -0.01   0.01     0.01   0.00  -0.01
    19   1     0.00   0.00  -0.00     0.10   0.04   0.45    -0.01  -0.01  -0.06
    20   1     0.00   0.00   0.00     0.18   0.42   0.01    -0.03  -0.06  -0.00
    21   1    -0.00  -0.00  -0.00     0.03   0.07   0.01    -0.00  -0.01  -0.00
    22   1    -0.01   0.01   0.02     0.20  -0.04  -0.01    -0.01   0.00   0.01
    23   1     0.01   0.01  -0.00    -0.20   0.19   0.08     0.02  -0.01  -0.01
    24   1    -0.00  -0.02   0.01    -0.05   0.19  -0.26     0.00  -0.02   0.02
    25   1    -0.02  -0.00  -0.01     0.12  -0.12   0.29    -0.02   0.02  -0.04
    26   1    -0.00   0.01   0.00     0.35  -0.15  -0.10    -0.05   0.02   0.02
    27   1     0.01  -0.01  -0.01    -0.03   0.16  -0.16     0.01  -0.03   0.02
    28   1     0.04   0.06   0.00     0.01   0.01   0.00    -0.06   0.07   0.04
    29   6    -0.04   0.00  -0.03     0.00   0.00  -0.01     0.03   0.01  -0.04
    30   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.02   0.01
    31   1     0.48  -0.17   0.48     0.04   0.04   0.01     0.22   0.32   0.00
    32   1     0.33  -0.28  -0.27    -0.07  -0.03  -0.01    -0.60  -0.18   0.00
    33   1    -0.17   0.35   0.28    -0.02  -0.02   0.08    -0.12  -0.24   0.60
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.3647              1511.1715              1551.6598
 Red. masses --      1.0528                 1.0511                 2.4478
 Frc consts  --      1.4038                 1.4142                 3.4724
 IR Inten    --      4.8214                12.3630                25.9715
 RamAct Fr= 1--      8.6698                 1.4075                 0.6901
  Dep-P Fr= 1--      0.7386                 0.4559                 0.7212
  Dep-U Fr= 1--      0.8496                 0.6263                 0.8380
 Alpha2 Fr= 1--      0.0017                 0.0084                 0.0003
 Beta2  Fr= 1--      1.2277                 0.1469                 0.0964
 AlphaG Fr= 1--     -0.0079                 0.0030                -0.0017
 Gamma2 Fr= 1--      0.8457                 1.7959                -0.6994
 Delta2 Fr= 1--     -0.2276                 0.4908                -0.0203
 Raman1 Fr= 1--      34.679                  5.630                  2.761
 ROA1   Fr= 1--      73.908                188.111                -67.795
 CID1   Fr= 1--       2.131                 33.411                -24.559
 Raman2 Fr= 1--      14.732                  1.763                  1.157
 ROA2   Fr= 1--      22.119                 39.175                -16.624
 CID2   Fr= 1--       1.501                 22.221                -14.372
 Raman3 Fr= 1--      29.465                  3.526                  2.313
 ROA3   Fr= 1--      73.908                188.111                -67.795
 CID3   Fr= 1--       2.508                 53.350                -29.306
 RC180  Fr= 1--       0.699                  0.253                  0.676
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.08   0.04  -0.11
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.15   0.03   0.04
     3   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.10  -0.07   0.07
     4   6    -0.00  -0.00   0.01     0.00  -0.00   0.00     0.15   0.03   0.03
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.09   0.03  -0.11
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.10  -0.07   0.07
     7   6     0.00  -0.01  -0.00    -0.01  -0.01  -0.01    -0.03  -0.01  -0.01
     8   6    -0.03   0.03  -0.01     0.02  -0.02  -0.03    -0.00   0.00   0.00
     9   6     0.00   0.03  -0.01     0.01  -0.01  -0.02     0.00  -0.00  -0.00
    10   6    -0.03  -0.01  -0.01     0.01  -0.01  -0.03     0.00   0.00   0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.03  -0.01  -0.01
    12   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    13   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.01   0.00  -0.01     0.00  -0.00   0.00     0.39  -0.01   0.24
    16   1     0.00   0.00  -0.00     0.01   0.00  -0.00     0.41   0.17  -0.05
    17   1     0.00   0.00  -0.00     0.01   0.00   0.00     0.41  -0.01   0.27
    18   1     0.01   0.01  -0.00     0.01   0.00  -0.01     0.41   0.16  -0.05
    19   1     0.03  -0.01   0.01     0.05   0.01   0.12    -0.04  -0.01  -0.03
    20   1    -0.04   0.04   0.01     0.03   0.12   0.01    -0.03  -0.03  -0.01
    21   1     0.02  -0.03  -0.03    -0.06   0.07  -0.01     0.01  -0.00   0.00
    22   1    -0.31   0.06  -0.06    -0.06   0.10   0.41    -0.00  -0.00  -0.01
    23   1     0.28  -0.35  -0.12     0.09   0.33   0.01    -0.00  -0.01  -0.00
    24   1     0.11  -0.26   0.40    -0.17  -0.22  -0.00     0.01   0.01   0.00
    25   1     0.26  -0.05   0.35     0.28   0.23   0.06    -0.02  -0.01  -0.01
    26   1     0.32  -0.20  -0.11    -0.32  -0.21  -0.00     0.00   0.01   0.00
    27   1    -0.10   0.28  -0.02    -0.14   0.10   0.50     0.01  -0.01  -0.01
    28   1    -0.01  -0.00   0.00    -0.00  -0.00  -0.00    -0.03   0.00   0.00
    29   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.01   0.00
    31   1     0.01   0.01   0.00     0.00  -0.00   0.00     0.05  -0.01   0.04
    32   1    -0.02  -0.00   0.00     0.00   0.00  -0.00     0.04  -0.02  -0.02
    33   1    -0.00  -0.01   0.02    -0.00   0.00  -0.00    -0.02   0.06   0.02
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1618.0913              1658.1602              1805.8331
 Red. masses --      6.0212                 5.7997                 9.5442
 Frc consts  --      9.2884                 9.3952                18.3378
 IR Inten    --      0.0360                 1.3109               271.9561
 RamAct Fr= 1--      1.6067               184.2021                24.5243
  Dep-P Fr= 1--      0.6561                 0.4492                 0.1810
  Dep-U Fr= 1--      0.7924                 0.6199                 0.3065
 Alpha2 Fr= 1--      0.0027                 1.1329                 0.3501
 Beta2  Fr= 1--      0.2122                19.0319                 1.2529
 AlphaG Fr= 1--      0.0269                -0.6168                -0.6176
 Gamma2 Fr= 1--      0.2852                -3.0514                -2.5559
 Delta2 Fr= 1--      0.0047                 0.2436                 1.3675
 Raman1 Fr= 1--       6.427                736.808                 98.097
 ROA1   Fr= 1--      27.531               -285.144               -201.606
 CID1   Fr= 1--       4.284                 -0.387                 -2.055
 Raman2 Fr= 1--       2.546                228.383                 15.034
 ROA2   Fr= 1--       6.807                -75.183                -72.281
 CID2   Fr= 1--       2.673                 -0.329                 -4.808
 Raman3 Fr= 1--       5.092                456.766                 30.068
 ROA3   Fr= 1--      27.531               -285.144               -201.606
 CID3   Fr= 1--       5.406                 -0.624                 -6.705
 RC180  Fr= 1--       0.585                  0.240                 -0.387
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.09   0.20     0.27   0.01   0.13     0.01   0.00   0.00
     2   6     0.03   0.18  -0.29    -0.20  -0.04  -0.04    -0.00  -0.00   0.00
     3   6     0.11   0.13  -0.16    -0.28  -0.09   0.00    -0.01  -0.00   0.00
     4   6    -0.03  -0.18   0.30     0.18   0.04   0.04     0.02   0.01   0.00
     5   6    -0.08   0.09  -0.20    -0.26  -0.02  -0.13    -0.01  -0.00  -0.00
     6   6    -0.11  -0.12   0.16     0.29   0.10  -0.00     0.01   0.00  -0.00
     7   6    -0.01  -0.02   0.03     0.03   0.01   0.01     0.00   0.00   0.00
     8   6    -0.00  -0.01   0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
     9   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6     0.02   0.02  -0.03    -0.02  -0.01  -0.01     0.02   0.01  -0.05
    12   6    -0.00   0.01   0.01     0.00   0.02  -0.01    -0.27  -0.32   0.57
    13   8     0.00   0.00  -0.00    -0.00  -0.01   0.01     0.15   0.23  -0.35
    14   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.02   0.03  -0.05
    15   1    -0.29  -0.05  -0.08    -0.25   0.08  -0.27    -0.00   0.00  -0.01
    16   1    -0.28  -0.06  -0.07     0.28   0.17  -0.14     0.02   0.01  -0.01
    17   1     0.31   0.06   0.09     0.25  -0.07   0.29    -0.03   0.01  -0.00
    18   1     0.29   0.06   0.06    -0.29  -0.17   0.15    -0.01  -0.01   0.00
    19   1    -0.16   0.01  -0.01     0.03   0.00  -0.01     0.00   0.00  -0.00
    20   1     0.24   0.03  -0.01     0.01  -0.01   0.01    -0.00  -0.00   0.00
    21   1     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00   0.00  -0.00
    22   1     0.02  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    23   1    -0.02   0.01   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    24   1    -0.01   0.01  -0.02    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00
    25   1    -0.01  -0.00  -0.01     0.01   0.01  -0.00    -0.00   0.00  -0.00
    26   1     0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    27   1     0.00  -0.01  -0.01    -0.00   0.00   0.01     0.00  -0.00   0.00
    28   1    -0.27  -0.07  -0.01    -0.02   0.00   0.01     0.17  -0.09  -0.13
    29   6     0.00  -0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.01   0.00
    30   1     0.00  -0.01   0.01     0.00   0.00  -0.00     0.03  -0.44   0.16
    31   1     0.02   0.01   0.01     0.02   0.01   0.01     0.03   0.11  -0.02
    32   1    -0.01  -0.02  -0.01     0.02   0.00   0.00    -0.04   0.02   0.04
    33   1    -0.01   0.00   0.02    -0.01   0.03   0.00    -0.03   0.01   0.03
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3002.8381              3018.7397              3020.5420
 Red. masses --      1.0813                 1.0504                 1.0403
 Frc consts  --      5.7446                 5.6395                 5.5920
 IR Inten    --      3.9828                 8.8475                41.8534
 RamAct Fr= 1--    141.0850                14.7047                30.1835
  Dep-P Fr= 1--      0.1986                 0.7032                 0.2915
  Dep-U Fr= 1--      0.3314                 0.8257                 0.4514
 Alpha2 Fr= 1--      1.9232                 0.0120                 0.3175
 Beta2  Fr= 1--      7.7915                 2.0237                 2.2707
 AlphaG Fr= 1--     -1.1494                -0.0540                 0.1563
 Gamma2 Fr= 1--    -10.5445                 3.7706                -1.2330
 Delta2 Fr= 1--     -6.5460                 2.4680                 3.7170
 Raman1 Fr= 1--     564.340                 58.819                120.734
 ROA1   Fr= 1--   -1221.748                440.955                  0.578
 CID1   Fr= 1--      -2.165                  7.497                  0.005
 Raman2 Fr= 1--      93.498                 24.284                 27.249
 ROA2   Fr= 1--    -200.701                 70.751                -59.328
 CID2   Fr= 1--      -2.147                  2.913                 -2.177
 Raman3 Fr= 1--     186.996                 48.568                 54.497
 ROA3   Fr= 1--   -1221.748                440.955                  0.578
 CID3   Fr= 1--      -6.534                  9.079                  0.011
 RC180  Fr= 1--      -0.337                  0.651                 -0.097
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.02    -0.02  -0.04  -0.03     0.01   0.02   0.02
     8   6    -0.01   0.01  -0.08    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     9   6    -0.00  -0.00   0.01     0.03   0.01   0.01     0.03   0.01   0.01
    10   6     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.03  -0.02
    11   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   1     0.01   0.01  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    19   1     0.00  -0.01   0.01     0.12   0.54  -0.12    -0.06  -0.25   0.06
    20   1    -0.04   0.04  -0.23     0.08  -0.10   0.52    -0.04   0.05  -0.26
    21   1     0.18  -0.15   0.91     0.02  -0.01   0.09     0.00   0.00  -0.00
    22   1     0.00   0.04  -0.01    -0.04  -0.32   0.08    -0.04  -0.29   0.07
    23   1    -0.03   0.02  -0.12    -0.09   0.06  -0.41    -0.08   0.06  -0.39
    24   1     0.02  -0.02  -0.02    -0.18   0.16   0.16    -0.19   0.16   0.17
    25   1     0.01  -0.00  -0.00    -0.01   0.01   0.01     0.23  -0.19  -0.20
    26   1    -0.03   0.03  -0.17    -0.01   0.01  -0.07     0.10  -0.10   0.53
    27   1    -0.00   0.00   0.00     0.02   0.01   0.01    -0.27  -0.07  -0.07
    28   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.9179              3047.2492              3056.6274
 Red. masses --      1.0435                 1.0356                 1.1034
 Frc consts  --      5.6333                 5.6656                 6.0740
 IR Inten    --     47.8978                23.7571                15.4242
 RamAct Fr= 1--    439.7993               231.6199                32.1771
  Dep-P Fr= 1--      0.0106                 0.0688                 0.7058
  Dep-U Fr= 1--      0.0211                 0.1287                 0.8275
 Alpha2 Fr= 1--      9.5332                 4.3743                 0.0247
 Beta2  Fr= 1--      1.5438                 4.9682                 4.4378
 AlphaG Fr= 1--      1.2982                -0.4772                 0.1902
 Gamma2 Fr= 1--      1.9059                -0.4075                -0.6912
 Delta2 Fr= 1--      0.0469                 3.7252                -2.3929
 Raman1 Fr= 1--    1759.197                926.479                128.708
 ROA1   Fr= 1--     184.471                 80.085               -142.928
 CID1   Fr= 1--       0.105                  0.086                 -1.110
 Raman2 Fr= 1--      18.526                 59.618                 53.253
 ROA2   Fr= 1--      45.367                -39.582                  2.555
 CID2   Fr= 1--       2.449                 -0.664                  0.048
 Raman3 Fr= 1--      37.052                119.236                106.506
 ROA3   Fr= 1--     184.471                 80.085               -142.928
 CID3   Fr= 1--       4.979                  0.672                 -1.342
 RC180  Fr= 1--      -0.958                 -0.743                  0.655
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.01  -0.03  -0.02     0.00   0.00  -0.00     0.00   0.06  -0.07
     8   6    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.01
     9   6    -0.02  -0.01  -0.01     0.00   0.00   0.00    -0.00  -0.01   0.01
    10   6    -0.00   0.03  -0.02    -0.00  -0.00   0.00    -0.00   0.00   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.01  -0.01
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.01   0.00  -0.01
    19   1     0.08   0.35  -0.07    -0.00  -0.00   0.00    -0.15  -0.64   0.12
    20   1     0.04  -0.05   0.26    -0.00   0.00  -0.00     0.12  -0.10   0.68
    21   1     0.03  -0.03   0.17    -0.00   0.00  -0.00     0.02  -0.02   0.13
    22   1     0.04   0.30  -0.07    -0.00  -0.00   0.00     0.01   0.12  -0.02
    23   1     0.07  -0.05   0.33    -0.00   0.00  -0.00    -0.02   0.01  -0.10
    24   1     0.18  -0.16  -0.16    -0.00   0.00   0.00     0.02  -0.02  -0.02
    25   1     0.22  -0.19  -0.20     0.00  -0.00  -0.00     0.05  -0.04  -0.04
    26   1     0.09  -0.09   0.48    -0.00   0.00  -0.00    -0.01   0.01  -0.04
    27   1    -0.28  -0.08  -0.07     0.00   0.00   0.00    -0.04  -0.01  -0.01
    28   1     0.00  -0.00   0.00    -0.01   0.02  -0.03     0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.02  -0.04  -0.02     0.00   0.00   0.00
    30   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    31   1    -0.00   0.00   0.00    -0.36   0.18   0.42     0.00  -0.00  -0.00
    32   1    -0.00   0.00  -0.00    -0.09   0.23  -0.38     0.00  -0.00   0.00
    33   1     0.00   0.00   0.00     0.64   0.10   0.18    -0.00  -0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.7238              3077.9382              3084.3837
 Red. masses --      1.0840                 1.0995                 1.0994
 Frc consts  --      6.0222                 6.1369                 6.1622
 IR Inten    --      6.9378                10.1333                56.3896
 RamAct Fr= 1--     69.1917                23.8874               120.6096
  Dep-P Fr= 1--      0.2033                 0.7378                 0.4439
  Dep-U Fr= 1--      0.3379                 0.8491                 0.6149
 Alpha2 Fr= 1--      0.9314                 0.0050                 0.7575
 Beta2  Fr= 1--      3.8967                 3.3804                12.3604
 AlphaG Fr= 1--     -0.3696                 0.0389                 1.4584
 Gamma2 Fr= 1--     -3.2833                 9.6538                -5.6095
 Delta2 Fr= 1--     -2.2108                -4.1263                16.1992
 Raman1 Fr= 1--     276.767                 95.550                482.439
 ROA1   Fr= 1--    -385.939                794.726                -20.135
 CID1   Fr= 1--      -1.394                  8.317                 -0.042
 Raman2 Fr= 1--      46.760                 40.565                148.324
 ROA2   Fr= 1--     -61.112                264.702               -264.222
 CID2   Fr= 1--      -1.307                  6.525                 -1.781
 Raman3 Fr= 1--      93.520                 81.130                296.648
 ROA3   Fr= 1--    -385.939                794.726                -20.135
 CID3   Fr= 1--      -4.127                  9.796                 -0.068
 RC180  Fr= 1--      -0.324                  0.698                  0.230
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.01   0.01
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.02
     9   6     0.00  -0.00   0.00     0.01   0.02  -0.07    -0.00  -0.04   0.05
    10   6    -0.00   0.00   0.00    -0.01   0.02   0.06    -0.01   0.02   0.06
    11   6    -0.02   0.04  -0.07     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.00   0.01
    16   1    -0.01   0.01  -0.02     0.00  -0.00   0.00    -0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    18   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    19   1    -0.00  -0.00   0.00    -0.01  -0.03   0.00     0.02   0.09  -0.02
    20   1    -0.00   0.00  -0.00     0.00  -0.01   0.03    -0.02   0.01  -0.11
    21   1    -0.00   0.00  -0.00     0.01  -0.00   0.03    -0.04   0.03  -0.19
    22   1     0.00   0.00  -0.00    -0.05  -0.35   0.07     0.07   0.47  -0.10
    23   1    -0.00   0.00  -0.00     0.12  -0.07   0.53    -0.10   0.05  -0.43
    24   1     0.00  -0.00  -0.00    -0.23   0.21   0.19     0.06  -0.05  -0.04
    25   1     0.00  -0.00  -0.00     0.32  -0.27  -0.27     0.34  -0.29  -0.28
    26   1    -0.00   0.00  -0.00    -0.07   0.08  -0.38    -0.08   0.09  -0.42
    27   1     0.00   0.00   0.00    -0.17  -0.04  -0.02    -0.15  -0.04  -0.02
    28   1     0.21  -0.50   0.82    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    29   6     0.00  -0.01   0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    31   1     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.03   0.08  -0.14     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   1    -0.04  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3089.9394              3103.6399              3110.8121
 Red. masses --      1.1014                 1.1002                 1.1023
 Frc consts  --      6.1956                 6.2441                 6.2850
 IR Inten    --     42.6232                33.7686                27.5861
 RamAct Fr= 1--    133.1437                55.3422               117.3386
  Dep-P Fr= 1--      0.6525                 0.7033                 0.6637
  Dep-U Fr= 1--      0.7897                 0.8258                 0.7978
 Alpha2 Fr= 1--      0.2327                 0.0450                 0.1804
 Beta2  Fr= 1--     17.5249                 7.6168                15.6029
 AlphaG Fr= 1--      0.2860                 0.1425                 0.1029
 Gamma2 Fr= 1--     -3.3481                10.6442                -3.2228
 Delta2 Fr= 1--     -9.0625                 0.0834                -4.4814
 Raman1 Fr= 1--     532.575                221.369                469.354
 ROA1   Fr= 1--    -611.413               1024.516               -452.796
 CID1   Fr= 1--      -1.148                  4.628                 -0.965
 Raman2 Fr= 1--     210.299                 91.402                187.234
 ROA2   Fr= 1--      -7.854                254.795                -41.496
 CID2   Fr= 1--      -0.037                  2.788                 -0.222
 Raman3 Fr= 1--     420.598                182.804                374.469
 ROA3   Fr= 1--    -611.413               1024.516               -452.796
 CID3   Fr= 1--      -1.454                  5.604                 -1.209
 RC180  Fr= 1--       0.579                  0.652                  0.596
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9   6     0.03  -0.08  -0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   6    -0.00  -0.01  -0.02    -0.09   0.00  -0.01     0.00  -0.00   0.00
    11   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    14   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00   0.02  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   1    -0.00  -0.00   0.01     0.00  -0.00   0.01    -0.00   0.00  -0.00
    21   1     0.01  -0.01   0.05     0.01  -0.01   0.03    -0.00   0.00  -0.00
    22   1     0.08   0.55  -0.14    -0.00  -0.02   0.01    -0.00  -0.00   0.00
    23   1     0.04  -0.04   0.11     0.00   0.00   0.01    -0.00   0.00  -0.00
    24   1    -0.50   0.42   0.43     0.02  -0.02  -0.02    -0.00   0.00   0.00
    25   1    -0.09   0.08   0.08     0.26  -0.24  -0.25    -0.00   0.00   0.00
    26   1     0.02  -0.03   0.13     0.01  -0.03   0.17    -0.00   0.00  -0.00
    27   1     0.09   0.02   0.02     0.82   0.25   0.19    -0.01  -0.00  -0.00
    28   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.03   0.04
    29   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.09   0.02   0.01
    30   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   1    -0.00   0.00   0.00     0.01  -0.00  -0.01     0.41  -0.22  -0.50
    32   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.10   0.16
    33   1     0.00   0.00   0.00     0.01   0.00   0.00     0.66   0.12   0.20
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3130.0229              3157.0497              3164.7600
 Red. masses --      1.1013                 1.0867                 1.0875
 Frc consts  --      6.3569                 6.3813                 6.4175
 IR Inten    --     12.6950                11.6722                11.0028
 RamAct Fr= 1--     28.5450                58.6378                54.3685
  Dep-P Fr= 1--      0.6680                 0.6898                 0.5949
  Dep-U Fr= 1--      0.8010                 0.8165                 0.7460
 Alpha2 Fr= 1--      0.0416                 0.0619                 0.1566
 Beta2  Fr= 1--      3.8107                 7.9791                 6.7602
 AlphaG Fr= 1--     -0.0214                -0.0383                 0.2476
 Gamma2 Fr= 1--      0.3141                -3.5813                 3.6415
 Delta2 Fr= 1--      2.1712                 2.9945                 0.6149
 Raman1 Fr= 1--     114.180                234.551                217.474
 ROA1   Fr= 1--      99.635               -247.976                369.263
 CID1   Fr= 1--       0.873                 -1.057                  1.698
 Raman2 Fr= 1--      45.728                 95.750                 81.122
 ROA2   Fr= 1--      -9.831               -109.906                 82.478
 CID2   Fr= 1--      -0.215                 -1.148                  1.017
 Raman3 Fr= 1--      91.456                191.500                162.245
 ROA3   Fr= 1--      99.635               -247.976                369.263
 CID3   Fr= 1--       1.089                 -1.295                  2.276
 RC180  Fr= 1--       0.602                  0.633                  0.492
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.04   0.04  -0.04     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.02  -0.02   0.04    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.02   0.03
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.03   0.03  -0.07
     7   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     9   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.00   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.00  -0.00   0.00    -0.45  -0.44   0.51    -0.04  -0.03   0.04
    16   1    -0.01   0.01  -0.02    -0.22   0.21  -0.50     0.01  -0.01   0.03
    17   1     0.02   0.02  -0.02    -0.02  -0.02   0.02     0.25   0.24  -0.29
    18   1     0.00  -0.00   0.01    -0.01   0.01  -0.02     0.34  -0.31   0.76
    19   1    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    20   1     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.00   0.02
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
    22   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    24   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    27   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
    28   1     0.03  -0.08   0.13    -0.01   0.01  -0.02     0.00   0.00  -0.00
    29   6    -0.01   0.02  -0.09     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    31   1    -0.28   0.15   0.31     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    32   1     0.16  -0.45   0.71    -0.00   0.01  -0.01    -0.00   0.01  -0.02
    33   1     0.18   0.04   0.04    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3174.9896              3184.5904              3723.2376
 Red. masses --      1.0936                 1.0934                 1.0639
 Frc consts  --      6.4953                 6.5334                 8.6897
 IR Inten    --     16.3939                 3.7423                65.8122
 RamAct Fr= 1--    128.3155               123.1442               168.9256
  Dep-P Fr= 1--      0.1552                 0.1343                 0.2599
  Dep-U Fr= 1--      0.2687                 0.2369                 0.4126
 Alpha2 Fr= 1--      1.9577                 1.9803                 1.9468
 Beta2  Fr= 1--      5.7456                 4.8613                11.6168
 AlphaG Fr= 1--     -1.0554                 0.2400                -0.3062
 Gamma2 Fr= 1--     -6.6948                 5.7314                -6.4402
 Delta2 Fr= 1--     -2.6716                 1.3343                 0.5691
 Raman1 Fr= 1--     513.262                492.577                675.702
 ROA1   Fr= 1--    -728.194                592.910               -600.047
 CID1   Fr= 1--      -1.419                  1.204                 -0.888
 Raman2 Fr= 1--      68.947                 58.336                139.402
 ROA2   Fr= 1--    -139.303                126.878               -159.117
 CID2   Fr= 1--      -2.020                  2.175                 -1.141
 Raman3 Fr= 1--     137.894                116.672                278.804
 ROA3   Fr= 1--    -728.194                592.910               -600.047
 CID3   Fr= 1--      -5.281                  5.082                 -2.152
 RC180  Fr= 1--      -0.463                 -0.526                 -0.175
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.03   0.02  -0.06     0.00  -0.00   0.01     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.01   0.01  -0.01     0.04   0.04  -0.05    -0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.02   0.01  -0.03     0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    10   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.03  -0.02  -0.05
    15   1    -0.32  -0.31   0.36     0.04   0.04  -0.05    -0.00  -0.00   0.00
    16   1     0.31  -0.29   0.68    -0.03   0.03  -0.06     0.00  -0.00   0.00
    17   1    -0.07  -0.06   0.08    -0.49  -0.47   0.56     0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.01     0.18  -0.16   0.39    -0.00   0.00  -0.00
    19   1    -0.00  -0.01   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    20   1    -0.00  -0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.00
    21   1     0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    27   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    28   1     0.01  -0.01   0.02    -0.00   0.00  -0.00    -0.00   0.00   0.00
    29   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.55   0.31   0.78
    31   1    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00  -0.00   0.00
    32   1     0.00  -0.01   0.01     0.00  -0.01   0.02     0.00  -0.00  -0.00
    33   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1144.562897350.353507530.72542
           X            0.99997   0.00313   0.00765
           Y           -0.00333   0.99963   0.02716
           Z           -0.00756  -0.02718   0.99960
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.07567     0.01178     0.01150
 Rotational constants (GHZ):           1.57680     0.24553     0.23965
 Zero-point vibrational energy     745948.1 (Joules/Mol)
                                  178.28587 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     33.97    54.75    64.53    79.94    87.85
          (Kelvin)            146.58   238.82   308.98   322.63   327.97
                              339.30   366.42   428.88   444.68   515.18
                              551.50   589.30   602.58   610.55   687.40
                              734.71   851.41   888.82   923.55   957.49
                             1028.79  1096.74  1148.54  1189.54  1209.73
                             1226.52  1232.23  1257.52  1291.66  1346.66
                             1373.45  1382.05  1398.16  1407.41  1460.07
                             1505.26  1559.64  1578.69  1592.72  1637.82
                             1652.25  1671.15  1717.70  1743.67  1757.97
                             1779.01  1796.68  1842.12  1884.12  1897.40
                             1941.52  1961.85  1974.27  1977.74  2003.64
                             2019.30  2037.30  2047.71  2100.80  2137.23
                             2143.86  2146.97  2154.79  2156.66  2164.45
                             2174.24  2232.49  2328.07  2385.72  2598.19
                             4320.41  4343.29  4345.89  4355.06  4384.31
                             4397.81  4418.09  4428.47  4437.74  4445.73
                             4465.45  4475.76  4503.40  4542.29  4553.38
                             4568.10  4581.92  5356.91
 
 Zero-point correction=                           0.284117 (Hartree/Particle)
 Thermal correction to Energy=                    0.299820
 Thermal correction to Enthalpy=                  0.300764
 Thermal correction to Gibbs Free Energy=         0.239319
 Sum of electronic and zero-point Energies=           -656.740229
 Sum of electronic and thermal Energies=              -656.724525
 Sum of electronic and thermal Enthalpies=            -656.723581
 Sum of electronic and thermal Free Energies=         -656.785027
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.140             58.746            129.323
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.516
 Vibrational            186.363             52.784             54.933
 Vibration     1          0.593              1.985              6.305
 Vibration     2          0.594              1.982              5.358
 Vibration     3          0.595              1.979              5.032
 Vibration     4          0.596              1.975              4.609
 Vibration     5          0.597              1.973              4.423
 Vibration     6          0.604              1.948              3.418
 Vibration     7          0.624              1.884              2.480
 Vibration     8          0.645              1.819              2.003
 Vibration     9          0.649              1.804              1.925
 Vibration    10          0.651              1.798              1.895
 Vibration    11          0.655              1.786              1.834
 Vibration    12          0.665              1.755              1.698
 Vibration    13          0.691              1.677              1.428
 Vibration    14          0.698              1.656              1.367
 Vibration    15          0.733              1.559              1.130
 Vibration    16          0.753              1.506              1.026
 Vibration    17          0.774              1.449              0.928
 Vibration    18          0.782              1.429              0.896
 Vibration    19          0.786              1.417              0.877
 Vibration    20          0.834              1.299              0.716
 Vibration    21          0.866              1.226              0.632
 Vibration    22          0.949              1.049              0.464
 Vibration    23          0.978              0.994              0.420
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.833919-110       -110.078876       -253.465979
 Total V=0       0.403258D+21         20.605583         47.446109
 Vib (Bot)       0.251604-124       -124.599282       -286.900449
 Vib (Bot)    1  0.877267D+01          0.943132          2.171641
 Vib (Bot)    2  0.543778D+01          0.735422          1.693372
 Vib (Bot)    3  0.461103D+01          0.663798          1.528452
 Vib (Bot)    4  0.371858D+01          0.570377          1.313342
 Vib (Bot)    5  0.338156D+01          0.529116          1.218336
 Vib (Bot)    6  0.201367D+01          0.303989          0.699960
 Vib (Bot)    7  0.121568D+01          0.084819          0.195304
 Vib (Bot)    8  0.923097D+00         -0.034753         -0.080021
 Vib (Bot)    9  0.880525D+00         -0.055258         -0.127237
 Vib (Bot)   10  0.864820D+00         -0.063074         -0.145234
 Vib (Bot)   11  0.833041D+00         -0.079334         -0.182672
 Vib (Bot)   12  0.764640D+00         -0.116543         -0.268350
 Vib (Bot)   13  0.638682D+00         -0.194715         -0.448348
 Vib (Bot)   14  0.612139D+00         -0.213150         -0.490797
 Vib (Bot)   15  0.512542D+00         -0.290270         -0.668372
 Vib (Bot)   16  0.470599D+00         -0.327349         -0.753749
 Vib (Bot)   17  0.432090D+00         -0.364426         -0.839122
 Vib (Bot)   18  0.419631D+00         -0.377132         -0.868379
 Vib (Bot)   19  0.412397D+00         -0.384684         -0.885768
 Vib (Bot)   20  0.350731D+00         -0.455026         -1.047736
 Vib (Bot)   21  0.318795D+00         -0.496489         -1.143207
 Vib (Bot)   22  0.254469D+00         -0.594365         -1.368576
 Vib (Bot)   23  0.237284D+00         -0.624731         -1.438496
 Vib (V=0)       0.121668D+07          6.085177         14.011639
 Vib (V=0)    1  0.928691D+01          0.967871          2.228605
 Vib (V=0)    2  0.596072D+01          0.775299          1.785192
 Vib (V=0)    3  0.513806D+01          0.710800          1.636676
 Vib (V=0)    4  0.425204D+01          0.628598          1.447400
 Vib (V=0)    5  0.391832D+01          0.593100          1.365663
 Vib (V=0)    6  0.257482D+01          0.410747          0.945779
 Vib (V=0)    7  0.181449D+01          0.258754          0.595803
 Vib (V=0)    8  0.154981D+01          0.190279          0.438135
 Vib (V=0)    9  0.151258D+01          0.179719          0.413819
 Vib (V=0)   10  0.149896D+01          0.175789          0.404769
 Vib (V=0)   11  0.147157D+01          0.167782          0.386333
 Vib (V=0)   12  0.141360D+01          0.150328          0.346143
 Vib (V=0)   13  0.131112D+01          0.117642          0.270881
 Vib (V=0)   14  0.129039D+01          0.110720          0.254943
 Vib (V=0)   15  0.121603D+01          0.084944          0.195592
 Vib (V=0)   16  0.118663D+01          0.074316          0.171119
 Vib (V=0)   17  0.116083D+01          0.064770          0.149139
 Vib (V=0)   18  0.115276D+01          0.061737          0.142156
 Vib (V=0)   19  0.114813D+01          0.059991          0.138134
 Vib (V=0)   20  0.111075D+01          0.045615          0.105033
 Vib (V=0)   21  0.109298D+01          0.038614          0.088912
 Vib (V=0)   22  0.106103D+01          0.025728          0.059240
 Vib (V=0)   23  0.105345D+01          0.022613          0.052068
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.284930D+07          6.454738         14.862583
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111110000000000                           8665554444444443333333222221111100009999988888877766655444433322222211     
     2        87653109877542210                           051510999986210977641184321964309841776539755429616419172118509532216065432
     3        55570140481777193                           688214982050363352499009622428877465821568462178255282184903898568456216584
 
     X        XXXXXXXXXXXXXXXXX                           XX XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXX XXXXXXXXXXXX XXXX
     X             XXXX   XXX                             X  X           X            XX X X               X XXX                     
     X               XX    XX                             X              X            XX   X                  XX                     
     X                X    X                              X                           XX   X                  XX                     
     X                                                    X                           X    X                  X                      
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000003950    0.000000493    0.000003928
      2        6          -0.000002634   -0.000000818   -0.000001355
      3        6          -0.000004008    0.000002802    0.000001211
      4        6           0.000007275    0.000000242    0.000001003
      5        6          -0.000000338   -0.000002106   -0.000001904
      6        6          -0.000002252    0.000001856    0.000001490
      7        6          -0.000001626    0.000002751    0.000002480
      8        6           0.000001749    0.000002742    0.000000321
      9        6           0.000004305   -0.000003614   -0.000000230
     10        6           0.000000224    0.000000674   -0.000001418
     11        6          -0.000005023   -0.000010681   -0.000004072
     12        6           0.000005907   -0.000007388   -0.000003413
     13        8          -0.000002214    0.000007560    0.000001045
     14        8          -0.000005393    0.000003572    0.000005679
     15        1           0.000000436    0.000000603   -0.000001048
     16        1           0.000000944    0.000000035   -0.000000101
     17        1          -0.000000008    0.000000207    0.000000005
     18        1           0.000000288   -0.000001043   -0.000000583
     19        1          -0.000000674   -0.000000951    0.000000981
     20        1          -0.000000981   -0.000001001   -0.000001355
     21        1          -0.000000234   -0.000003396    0.000001221
     22        1          -0.000000607   -0.000001257    0.000000368
     23        1           0.000000610   -0.000000741    0.000000531
     24        1           0.000002640   -0.000000288   -0.000000386
     25        1           0.000000532   -0.000000777   -0.000001346
     26        1           0.000000225    0.000001887   -0.000000605
     27        1          -0.000001470    0.000000592   -0.000001347
     28        1           0.000002741   -0.000000964    0.000000073
     29        6           0.000000491    0.000004169   -0.000003008
     30        1          -0.000002945    0.000005711    0.000003865
     31        1          -0.000000333   -0.000001169   -0.000000153
     32        1          -0.000001288    0.000000502   -0.000000707
     33        1          -0.000000288   -0.000000206   -0.000001170
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000010681 RMS     0.000002727
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.224830D+03  0.101445D+02  0.338518D+01
      2   0.101445D+02  0.142078D+03 -0.962363D+01
      3   0.338518D+01 -0.962363D+01  0.145091D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.382898D+01  0.362103D+01 -0.444988D+01
      2  -0.371870D+02 -0.205434D+01 -0.456845D+02
      3  -0.832474D+01  0.437514D+02 -0.430955D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.267347D+03 -0.285879D+02 -0.589940D+02
      2   0.128645D+03  0.324701D+02  0.368947D+02
      3   0.138702D+03 -0.388220D+01  0.220993D+02
      4   0.115555D+02 -0.846373D+02  0.854801D+01
      5  -0.102608D+02  0.995088D+01 -0.821278D+02
      6   0.147027D+02  0.369407D+02  0.186451D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.107946D+02  0.172756D+01  0.153432D+01 -0.304776D+01 -0.328457D+00
      2   0.172756D+01 -0.564790D+00  0.722881D+00 -0.328457D+00 -0.398202D+01
      3   0.153432D+01  0.722881D+00 -0.303286D+01 -0.235332D+01  0.804594D+00
                 6             7             8             9            10 
      1  -0.235332D+01  0.153366D+02  0.381975D+00  0.128397D+01 -0.335992D+02
      2   0.804594D+00  0.381975D+00 -0.140892D+01  0.146541D+01 -0.194971D+01
      3   0.678033D+00  0.128397D+01  0.146541D+01  0.123182D+01 -0.279109D+01
                11            12            13            14            15 
      1  -0.194971D+01 -0.279109D+01 -0.392474D+01 -0.424524D+01 -0.210172D+01
      2  -0.182844D+01  0.682221D+00 -0.424524D+01 -0.224147D+01 -0.666728D+00
      3   0.682221D+00 -0.262067D+01 -0.210172D+01 -0.666728D+00 -0.151763D+01
                16            17            18            19            20 
      1  -0.697590D+01 -0.228843D+01 -0.215473D+01 -0.136751D+02 -0.262879D+01
      2  -0.228843D+01 -0.495241D+00 -0.851302D+00 -0.262879D+01  0.218976D+01
      3  -0.215473D+01 -0.851302D+00 -0.107546D+01 -0.188593D+01 -0.171649D+01
                21            22            23            24            25 
      1  -0.188593D+01 -0.127464D+02 -0.643533D-01 -0.289860D+00  0.805113D+01
      2  -0.171649D+01 -0.643533D-01 -0.246474D+01  0.109647D+01  0.248214D+01
      3   0.457764D+00 -0.289860D+00  0.109647D+01  0.291252D+01 -0.235894D+00
                26            27            28            29            30 
      1   0.248214D+01 -0.235894D+00  0.308287D+02  0.387403D+01  0.318636D+01
      2   0.696535D+00  0.160414D+01  0.387403D+01  0.221757D+01 -0.440950D-01
      3   0.160414D+01  0.280260D+01  0.318636D+01 -0.440950D-01  0.253922D+01
                31            32            33            34            35 
      1   0.369949D+01  0.430092D+01  0.257924D+01  0.364831D+01  0.286242D+01
      2   0.430092D+01  0.183526D+01  0.142199D+01  0.286242D+01  0.172041D+01
      3   0.257924D+01  0.142199D+01  0.103655D+01  0.266645D+01 -0.446748D+00
                36            37            38            39            40 
      1   0.266645D+01 -0.978356D+01 -0.179773D+01 -0.194751D+01  0.413855D+01
      2  -0.446748D+00 -0.179773D+01  0.908287D-01 -0.110231D+00  0.107474D+01
      3   0.894666D+00 -0.194751D+01 -0.110231D+00  0.288214D+01  0.185688D+01
                41            42            43            44            45 
      1   0.107474D+01  0.185688D+01 -0.154989D+02 -0.164453D+01 -0.115210D+01
      2   0.381366D+01 -0.102588D+01 -0.164453D+01 -0.113226D+00 -0.868754D+00
      3  -0.102588D+01 -0.709838D+00 -0.115210D+01 -0.868754D+00 -0.171791D+01
                46            47            48            49            50 
      1   0.126597D+02  0.231385D+01  0.161490D+01  0.119046D+02 -0.530907D+00
      2   0.231385D+01 -0.128695D+01  0.836492D+00 -0.530907D+00  0.216341D+01
      3   0.161490D+01  0.836492D+00  0.497050D-01  0.113978D+01 -0.155620D+01
                51            52            53            54            55 
      1   0.113978D+01 -0.789339D+01 -0.169239D+01  0.201342D+00  0.211597D+02
      2  -0.155620D+01 -0.169239D+01 -0.754473D+00 -0.130226D+01 -0.917155D+00
      3  -0.264250D+01  0.201342D+00 -0.130226D+01 -0.265916D+01  0.258088D+00
                56            57            58            59            60 
      1  -0.917155D+00  0.258088D+00 -0.488879D+01  0.535191D+01  0.103210D+01
      2   0.236990D+01  0.451396D+00  0.535191D+01  0.591714D+01 -0.237680D+00
      3   0.451396D+00  0.115381D+01  0.103210D+01 -0.237680D+00 -0.926972D+00
                61            62            63            64            65 
      1  -0.729289D+01  0.116045D+01  0.257998D+01 -0.461999D+01  0.426509D+01
      2   0.116045D+01 -0.171740D+01 -0.348195D+00  0.426509D+01 -0.204041D+01
      3   0.257998D+01 -0.348195D+00  0.577602D+01  0.107444D+01 -0.478998D+00
                66            67            68            69            70 
      1   0.107444D+01  0.130437D+02 -0.339358D+01 -0.459531D+00  0.991949D+01
      2  -0.478998D+00 -0.339358D+01 -0.465477D+01  0.576011D+00 -0.687713D+00
      3  -0.219425D+01 -0.459531D+00  0.576011D+00  0.180244D+01 -0.313086D+01
                71            72            73            74            75 
      1  -0.687713D+00 -0.313086D+01 -0.278908D+01 -0.371232D+01 -0.220053D+01
      2   0.145101D+01  0.178699D+01 -0.371232D+01  0.189791D+01  0.686589D+00
      3   0.178699D+01 -0.738667D+01 -0.220053D+01  0.686589D+00  0.274636D+01
                76            77            78            79            80 
      1  -0.624530D+01  0.365827D+01  0.983341D+00 -0.455105D+01  0.918795D+00
      2   0.365827D+01  0.586613D+01 -0.211852D+01  0.918795D+00 -0.237888D+01
      3   0.983341D+00 -0.211852D+01 -0.161632D+01  0.436848D+01 -0.125752D+01
                81            82            83            84            85 
      1   0.436848D+01 -0.331959D+01 -0.434235D+01 -0.274374D+01 -0.558303D+01
      2  -0.125752D+01 -0.434235D+01  0.212812D+01  0.877079D+00  0.224393D+01
      3   0.487176D+01 -0.274374D+01  0.877079D+00  0.178849D+01  0.844218D+00
                86            87            88            89            90 
      1   0.224393D+01  0.844218D+00 -0.441005D+01  0.106798D+01  0.269948D+01
      2   0.248428D+01 -0.137507D+01  0.106798D+01 -0.235565D+01 -0.314786D+01
      3  -0.137507D+01 -0.226170D+01  0.269948D+01 -0.314786D+01  0.465100D+01
                91            92            93            94            95 
      1  -0.651881D+01  0.576961D+00 -0.338233D+00  0.115295D+01 -0.540977D+01
      2   0.576961D+00 -0.236863D+01 -0.833962D+00 -0.540977D+01 -0.371325D+01
      3  -0.338233D+00 -0.833962D+00 -0.153775D+01 -0.292697D+01 -0.271457D+01
                96            97            98            99           100 
      1  -0.292697D+01  0.537164D+01 -0.221580D+01 -0.319899D+01 -0.381845D+01
      2  -0.271457D+01 -0.221580D+01 -0.906271D+00  0.290817D+01 -0.189282D+01
      3   0.179056D+01 -0.319899D+01  0.290817D+01 -0.191219D+01  0.134395D+01
               101           102           103           104           105 
      1  -0.189282D+01  0.134395D+01 -0.468880D+01  0.815302D+00  0.371257D+01
      2  -0.591446D-01  0.139615D+01  0.815302D+00  0.347300D+00 -0.130364D+00
      3   0.139615D+01  0.337673D+00  0.371257D+01 -0.130364D+00 -0.390544D+01
               106           107           108           109           110 
      1   0.390354D+01  0.203910D+01 -0.872358D+00  0.617838D+01  0.234884D+01
      2   0.203910D+01  0.448184D+00 -0.272507D+01  0.234884D+01  0.145325D+01
      3  -0.872358D+00 -0.272507D+01  0.192785D+01 -0.343353D+01 -0.936044D+00
               111           112           113           114           115 
      1  -0.343353D+01  0.717700D+01  0.188710D+01 -0.235104D+01 -0.104020D+02
      2  -0.936044D+00  0.188710D+01  0.419131D+01 -0.181968D+01 -0.122505D+01
      3   0.157121D+01 -0.235104D+01 -0.181968D+01  0.304405D+01  0.411212D+01
               116           117           118           119           120 
      1  -0.122505D+01  0.411212D+01 -0.428601D+00  0.350108D+00  0.226548D+01
      2  -0.289411D+01  0.234257D+01  0.350108D+00 -0.160766D+01 -0.178729D+01
      3   0.234257D+01 -0.695096D+01  0.226548D+01 -0.178729D+01 -0.164077D+01
               121           122           123           124           125 
      1  -0.390228D+01  0.100157D+00 -0.188296D+01  0.491565D+01 -0.341677D+01
      2   0.100157D+00 -0.413290D+01  0.172710D+01 -0.341677D+01  0.380091D+01
      3  -0.188296D+01  0.172710D+01  0.115594D+01 -0.174696D+01  0.937397D+00
               126           127           128           129           130 
      1  -0.174696D+01 -0.351991D+01 -0.192126D+01  0.184975D+01 -0.211673D+01
      2   0.937397D+00 -0.192126D+01 -0.178771D+01  0.141997D+01 -0.172469D+01
      3   0.303453D+01  0.184975D+01  0.141997D+01 -0.151846D+01  0.187756D+01
               131           132           133           134           135 
      1  -0.172469D+01  0.187756D+01  0.235698D+01  0.160970D+01 -0.204796D+01
      2  -0.233351D+01  0.193659D+01  0.160970D+01  0.251883D+01 -0.246756D+01
      3   0.193659D+01 -0.246505D+01 -0.204796D+01 -0.246756D+01  0.349272D+01
               136           137           138           139           140 
      1   0.193477D+01 -0.607616D+00  0.207772D+01 -0.694852D+00  0.389865D+00
      2  -0.607616D+00  0.422842D+00 -0.688303D+00  0.389865D+00 -0.121983D+01
      3   0.207772D+01 -0.688303D+00  0.232895D+01 -0.909594D+00  0.145519D+01
               141           142           143           144           145 
      1  -0.909594D+00  0.194861D+01 -0.120441D+01  0.261540D+01  0.358303D+01
      2   0.145519D+01 -0.120441D+01  0.192788D+01 -0.279321D+01  0.149582D+01
      3  -0.315324D+01  0.261540D+01 -0.279321D+01  0.676044D+01 -0.149644D+01
               146           147           148           149           150 
      1   0.149582D+01 -0.149644D+01  0.174400D+01  0.122063D+01 -0.148424D+01
      2   0.124909D+01 -0.848712D+00  0.122063D+01  0.144952D+01 -0.135343D+01
      3  -0.848712D+00  0.130469D+01 -0.148424D+01 -0.135343D+01  0.204727D+01
               151           152           153           154           155 
      1  -0.207934D+01 -0.127314D+01  0.185329D+01 -0.175873D+01  0.600305D+00
      2  -0.127314D+01 -0.194372D+01  0.187398D+01  0.600305D+00 -0.267931D+00
      3   0.185329D+01  0.187398D+01 -0.328386D+01 -0.188694D+01  0.495961D+00
               156           157           158           159           160 
      1  -0.188694D+01  0.372830D+00 -0.305060D+00  0.699589D+00 -0.231916D+01
      2   0.495961D+00 -0.305060D+00  0.870866D+00 -0.116984D+01  0.106792D+01
      3  -0.213382D+01  0.699589D+00 -0.116984D+01  0.286436D+01 -0.258266D+01
               161           162           163           164           165 
      1   0.106792D+01 -0.258266D+01 -0.372058D+01 -0.171272D+01  0.173467D+00
      2  -0.149539D+01  0.222974D+01 -0.171272D+01 -0.170292D+01 -0.254165D+00
      3   0.222974D+01 -0.664616D+01  0.173467D+00 -0.254165D+00 -0.226619D+00
               166           167           168           169           170 
      1  -0.474309D+01 -0.340098D+01 -0.517116D+00  0.434360D+01  0.372309D+00
      2  -0.340098D+01 -0.852690D+01 -0.463380D+00  0.372309D+00  0.104301D+01
      3  -0.517116D+00 -0.463380D+00 -0.749064D+00 -0.500609D+00 -0.884674D+00
               171           172           173           174           175 
      1  -0.500609D+00 -0.118305D+01  0.308585D+00 -0.127973D+01  0.256829D+01
      2  -0.884674D+00  0.308585D+00 -0.474066D+00 -0.195370D+00 -0.713668D+00
      3  -0.276831D+00 -0.127973D+01 -0.195370D+00 -0.121418D+01  0.287048D+00
               176           177           178           179           180 
      1  -0.713668D+00  0.287048D+00 -0.306032D+01 -0.186964D+00 -0.214403D+01
      2  -0.375349D+00 -0.771474D+00 -0.186964D+00 -0.977227D+00 -0.762501D+00
      3  -0.771474D+00  0.736963D+00 -0.214403D+01 -0.762501D+00 -0.695197D+01
               181           182           183           184           185 
      1   0.118049D+01 -0.106140D+01  0.109500D+01 -0.215034D+01  0.350644D+00
      2  -0.106140D+01  0.427899D+00  0.706374D-01  0.350644D+00  0.563257D-01
      3   0.109500D+01  0.706374D-01  0.743360D+00 -0.124691D+00  0.937393D+00
               186           187           188           189           190 
      1  -0.124691D+00  0.188980D+01 -0.114602D-01  0.357811D+00 -0.889200D+00
      2   0.937393D+00 -0.114602D-01  0.129396D+01 -0.829636D+00 -0.130027D+01
      3  -0.875978D+00  0.357811D+00 -0.829636D+00  0.735898D+01  0.495654D+00
               191           192           193           194           195 
      1  -0.130027D+01  0.495654D+00 -0.340255D+01 -0.348525D+01  0.346772D+00
      2  -0.131845D+01  0.161302D+00 -0.348525D+01 -0.817547D+01  0.113294D+01
      3   0.161302D+00 -0.454803D+00  0.346772D+00  0.113294D+01 -0.108969D+01
               196           197           198           199           200 
      1   0.117290D+01  0.468422D+00 -0.111640D+01 -0.169484D+01  0.345826D+00
      2   0.468422D+00  0.150458D+01 -0.102087D+01  0.345826D+00 -0.381361D+00
      3  -0.111640D+01 -0.102087D+01  0.265766D+00 -0.134853D+01 -0.173829D-01
               201           202           203           204           205 
      1  -0.134853D+01  0.116606D+01 -0.937232D+00  0.245259D+00 -0.387070D+01
      2  -0.173829D-01 -0.937232D+00 -0.264483D+00 -0.660777D+00 -0.261655D+00
      3  -0.149410D+01  0.245259D+00 -0.660777D+00  0.718019D+00 -0.338409D+01
               206           207           208           209           210 
      1  -0.261655D+00 -0.338409D+01 -0.732458D+01  0.214222D+01  0.247102D+01
      2  -0.108619D+01  0.174623D+00  0.214222D+01 -0.143075D+01 -0.754085D+00
      3   0.174623D+00 -0.659413D+01  0.247102D+01 -0.754085D+00 -0.172363D+01
               211           212           213           214           215 
      1   0.540842D+01 -0.238265D+01 -0.128388D+01  0.519364D+01 -0.103188D+01
      2  -0.238265D+01  0.142254D+01  0.117204D+01 -0.103188D+01  0.144711D+01
      3  -0.128388D+01  0.117204D+01  0.131704D+01 -0.287131D+01  0.101975D+01
               216           217           218           219           220 
      1  -0.287131D+01 -0.438227D+01  0.331779D+01  0.176810D+01  0.260918D+01
      2   0.101975D+01  0.331779D+01 -0.332985D+01 -0.114424D+01 -0.306828D+01
      3   0.177817D+01  0.176810D+01 -0.114424D+01 -0.141781D+01 -0.119224D+01
               221           222           223           224           225 
      1  -0.306828D+01 -0.119224D+01  0.294543D+01 -0.190968D+01 -0.195781D+01
      2   0.405002D+01  0.174106D+01 -0.190968D+01  0.290076D+01  0.205964D+01
      3   0.174106D+01  0.138890D+01 -0.195781D+01  0.205964D+01  0.172750D+01
               226           227           228           229           230 
      1  -0.502134D+00  0.930578D+00 -0.802697D+00  0.726844D+00 -0.602216D+00
      2   0.930578D+00 -0.771316D+00  0.258057D+00 -0.602216D+00  0.114936D+01
      3  -0.802697D+00  0.258057D+00 -0.104692D+01  0.219534D+00 -0.107303D+01
               231           232           233           234           235 
      1   0.219534D+00 -0.167286D+01  0.678854D+00 -0.147061D+01  0.819151D+01
      2  -0.107303D+01  0.678854D+00 -0.241061D+01  0.233266D+01  0.126246D+01
      3   0.118762D+01 -0.147061D+01  0.233266D+01 -0.611636D+01  0.113326D+01
               236           237           238           239           240 
      1   0.126246D+01  0.113326D+01  0.110449D+01  0.136893D+01  0.180095D+00
      2   0.245697D+01  0.303038D+00  0.136893D+01  0.139866D+01  0.456191D+00
      3   0.303038D+00  0.707349D+00  0.180095D+00  0.456191D+00  0.650081D+00
               241           242           243           244           245 
      1   0.114769D+01  0.312831D+00  0.385540D+00 -0.319514D+00 -0.111241D+01
      2   0.312831D+00  0.800303D+00  0.879795D+00 -0.111241D+01  0.576791D+00
      3   0.385540D+00  0.879795D+00  0.136325D+00  0.125800D+01 -0.235454D+00
               246           247           248           249           250 
      1   0.125800D+01 -0.191530D+01  0.966608D+00 -0.447283D+00  0.209767D+01
      2  -0.235454D+00  0.966608D+00 -0.145238D+01  0.150602D+01 -0.233926D+00
      3   0.113006D+01 -0.447283D+00  0.150602D+01 -0.196055D+01  0.199197D+01
               251           252           253           254           255 
      1  -0.233926D+00  0.199197D+01 -0.830483D+01 -0.433306D+01 -0.430762D+01
      2   0.184437D+01 -0.156138D+01 -0.433306D+01  0.854805D+00  0.341335D+00
      3  -0.156138D+01  0.527846D+01 -0.430762D+01  0.341335D+00  0.171754D+01
               256           257           258           259           260 
      1   0.184876D+01  0.381316D+01  0.134169D+01 -0.371037D+01  0.606015D+00
      2   0.381316D+01  0.391564D+01  0.230566D+01  0.606015D+00  0.136616D+01
      3   0.134169D+01  0.230566D+01 -0.182891D+01  0.192150D+01 -0.318550D+01
               261           262           263           264           265 
      1   0.192150D+01  0.409450D+01 -0.301396D+01 -0.197255D+01 -0.184097D+01
      2  -0.318550D+01 -0.301396D+01  0.270611D+01  0.137244D+01  0.218770D+01
      3  -0.187755D-01 -0.197255D+01  0.137244D+01  0.171134D+01  0.108270D+01
               266           267           268           269           270 
      1   0.218770D+01  0.108270D+01 -0.392422D+01  0.316792D+01  0.311505D+01
      2  -0.327800D+01 -0.123544D+01  0.316792D+01 -0.351834D+01 -0.265162D+01
      3  -0.123544D+01 -0.130446D+01  0.311505D+01 -0.265162D+01 -0.319825D+01
               271           272           273           274           275 
      1  -0.145947D+01  0.123661D+01  0.172312D+01  0.522828D+00 -0.860195D+00
      2   0.123661D+01 -0.213254D+01 -0.145783D+01 -0.860195D+00  0.171107D+01
      3   0.172312D+01 -0.145783D+01 -0.224045D+01 -0.548322D+00  0.125980D+01
               276           277           278           279           280 
      1  -0.548322D+00  0.201671D+01 -0.493833D+00 -0.113283D+01  0.423318D+00
      2   0.125980D+01 -0.493833D+00  0.229273D+01  0.263402D+01  0.743402D+00
      3   0.150002D+01 -0.113283D+01  0.263402D+01  0.424286D+01 -0.304408D+00
               281           282           283           284           285 
      1   0.743402D+00 -0.304408D+00  0.812162D+00 -0.257178D-01 -0.809181D-01
      2  -0.685162D+00  0.725944D-01 -0.257178D-01  0.302428D+01 -0.162766D+01
      3   0.725944D-01 -0.462455D+00 -0.809181D-01 -0.162766D+01  0.170853D+01
               286           287           288           289           290 
      1  -0.156463D+01 -0.523414D+00 -0.390985D+00  0.125828D+02  0.446353D+01
      2  -0.523414D+00 -0.339149D+01  0.164163D+01  0.446353D+01  0.299624D+01
      3  -0.390985D+00  0.164163D+01 -0.288104D+01  0.341686D+01  0.135450D+01
               291           292           293           294           295 
      1   0.341686D+01  0.189081D+01  0.174838D+01  0.525315D+00  0.296641D+01
      2   0.135450D+01  0.174838D+01  0.114830D+01  0.470702D+00  0.110422D+01
      3   0.178989D+01  0.525315D+00  0.470702D+00  0.468435D+00  0.193878D+01
               296           297 
      1   0.110422D+01  0.193878D+01
      2   0.790384D+00  0.121415D+01
      3   0.121415D+01  0.143825D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.194499D+01 -0.288025D+00 -0.201913D+01 -0.724730D+01 -0.122483D+01
      2   0.223727D+01 -0.208404D+01  0.253473D+01 -0.621214D+01  0.155096D+01
      3  -0.692217D+01 -0.362245D+01  0.168524D+00  0.107318D+02 -0.110740D+01
                 6             7             8             9            10 
      1  -0.375389D+01 -0.514540D+01  0.225041D+01 -0.969447D+00 -0.857259D+00
      2  -0.130140D+01 -0.466169D+01 -0.157397D+01  0.467762D+00  0.485115D+01
      3   0.347834D+01 -0.341715D+01 -0.165006D+01  0.367385D+01  0.143179D+02
                11            12            13            14            15 
      1  -0.180808D+01  0.139019D+01 -0.544347D+01  0.443928D+01 -0.713432D+01
      2   0.129100D+01 -0.362052D+01  0.841092D+01  0.323133D+01 -0.251866D+01
      3   0.161852D+01  0.759183D+00  0.157068D+02  0.122850D+01  0.748016D+00
                16            17            18            19            20 
      1   0.771475D+01  0.102171D+01 -0.497384D+01 -0.141429D+01  0.104523D+01
      2  -0.229627D+02 -0.215027D+01  0.822060D+00  0.115177D+01 -0.232506D+01
      3  -0.485781D+01  0.122365D+01 -0.151478D+01  0.209650D+01 -0.100275D+01
                21            22            23            24            25 
      1  -0.144995D+01  0.438728D+01  0.134383D+01  0.408882D+00  0.317822D+01
      2   0.838914D+01  0.323929D+01 -0.323235D+01  0.335285D+01 -0.860325D+01
      3   0.335880D+01  0.128137D+02  0.342649D+01  0.625556D+00  0.274631D+01
                26            27            28            29            30 
      1   0.297572D+01  0.378466D+01  0.987787D+00 -0.206929D+01  0.474657D+01
      2   0.982764D-01 -0.270752D+00 -0.586431D+01  0.731831D+00 -0.372262D+01
      3  -0.480158D-01 -0.248528D+01 -0.129777D+02 -0.178654D+01 -0.295593D+01
                31            32            33            34            35 
      1  -0.151421D+01  0.509690D+01 -0.588039D+01  0.934952D+01  0.303120D+01
      2   0.775950D+01  0.295514D+01 -0.420998D+01 -0.232402D+02 -0.671471D+01
      3   0.144213D+02  0.101528D+01 -0.165921D+01 -0.114713D+02 -0.788527D+00
                36            37            38            39            40 
      1  -0.388249D+01  0.846589D+00 -0.107005D+01  0.337190D+00 -0.523511D+01
      2  -0.386593D+01  0.858733D+01 -0.914790D+00  0.334700D+01 -0.805562D+01
      3  -0.126191D+01  0.324289D+01 -0.172566D+01  0.280949D+01  0.921313D+01
                41            42            43            44            45 
      1  -0.264619D+01 -0.339527D+01 -0.411399D+01  0.883583D+00 -0.270384D+01
      2   0.147455D+01 -0.230526D+01  0.183239D+01 -0.147906D+00  0.433161D+00
      3  -0.592193D+00  0.267630D+01  0.963252D+01  0.106409D+01  0.505405D+01
                46            47            48            49            50 
      1  -0.562173D+00  0.265426D+01 -0.126624D+01  0.634380D+01  0.870785D+00
      2  -0.405275D+01 -0.381862D+01  0.837708D+01 -0.667442D+01 -0.387728D+01
      3  -0.125802D+02 -0.337670D+01  0.204710D+01  0.664033D+01  0.155859D+01
                51            52            53            54            55 
      1  -0.191496D+01  0.265526D+01  0.244435D+01  0.608683D+00 -0.196391D+01
      2   0.509105D+01 -0.481247D+01  0.663893D+00 -0.120133D+01  0.451861D+01
      3  -0.930888D+00  0.972124D+01  0.113532D+01 -0.189783D+01 -0.172909D+02
                56            57            58            59            60 
      1   0.580571D+00 -0.218636D+00  0.122442D+00 -0.656605D+01 -0.268031D+01
      2  -0.166642D+01  0.120846D+01 -0.385190D+01  0.597802D+01  0.321666D+01
      3   0.572738D+01  0.173977D+01  0.296629D+02  0.139645D+02 -0.112699D+01
                61            62            63            64            65 
      1   0.925436D+00  0.219604D+01  0.644708D+01  0.227298D+01 -0.512104D+00
      2  -0.207005D+02  0.283987D+01 -0.214777D+02 -0.102303D+02  0.218264D+01
      3   0.104936D+02 -0.610405D+01 -0.495000D+01  0.266866D+02 -0.127857D+02
                66            67            68            69            70 
      1   0.802036D+00  0.117119D+01 -0.616226D+00 -0.268396D+01 -0.122031D+01
      2   0.112439D+02  0.458696D+01 -0.479053D+01 -0.639638D+01  0.114999D+02
      3  -0.207640D+01 -0.141322D+02 -0.180583D+02  0.260996D+01 -0.100123D+02
                71            72            73            74            75 
      1   0.388732D+01  0.153071D+01 -0.915445D+00 -0.248343D+00  0.116977D+01
      2  -0.914436D+01  0.348651D+02  0.141347D+02 -0.382499D+01 -0.140473D+02
      3   0.570127D+01  0.914359D+01 -0.190392D+02  0.113087D+02  0.516651D+01
                76            77            78            79            80 
      1  -0.113669D+01 -0.183296D+01 -0.196368D+01  0.215658D+01  0.142105D+01
      2  -0.561762D+01  0.133942D+02  0.814021D+01 -0.299692D+02  0.682221D+01
      3   0.293395D+02  0.333527D+02 -0.126978D+02  0.712141D+01 -0.138743D+02
                81            82            83            84            85 
      1   0.202892D+01  0.500219D+01 -0.177535D+01 -0.406757D+01 -0.229870D+01
      2  -0.281153D+02  0.102632D+02 -0.429043D+01 -0.522643D+01 -0.477754D+01
      3  -0.989927D+01 -0.286622D+02 -0.438004D+01 -0.164306D+01  0.108774D+01
                86            87            88            89            90 
      1   0.524422D+01  0.332399D+01 -0.658433D+01  0.970749D+01 -0.914660D+01
      2   0.538051D+01  0.872841D+01 -0.132434D+02  0.120930D+02 -0.184170D+02
      3   0.130554D+02 -0.349201D+01 -0.155331D+01 -0.648966D+01 -0.879425D+01
                91            92            93            94            95 
      1  -0.145927D+01 -0.206394D+01  0.768156D+00 -0.442562D+01 -0.201741D+01
      2   0.112965D+02 -0.207672D+01  0.598715D+00 -0.105291D+02 -0.467755D+01
      3  -0.704591D+01  0.232803D+01  0.247372D+01  0.259705D+02  0.104150D+02
                96            97            98            99           100 
      1  -0.704971D+01  0.377189D+01  0.177525D+01  0.424776D+01  0.241652D+01
      2   0.912375D+01 -0.254332D+02  0.106439D+02 -0.448792D+01 -0.190016D+02
      3   0.853581D+01  0.102840D+02  0.434984D+01 -0.108839D+02  0.173063D+02
               101           102           103           104           105 
      1   0.730346D+01 -0.110967D+01  0.258572D+01  0.614717D+01  0.215254D+01
      2   0.683411D+01  0.432840D+01  0.124767D+02 -0.722128D-01 -0.114424D+02
      3  -0.479614D+01 -0.519753D+01 -0.128785D+01 -0.347659D+01 -0.279936D+01
               106           107           108           109           110 
      1  -0.324155D+01  0.100656D+00 -0.323280D+01 -0.213814D+01 -0.470077D+01
      2  -0.988295D+01 -0.959367D+01  0.191943D+02 -0.473502D+01 -0.332968D+01
      3  -0.113725D+01 -0.127748D+02  0.821154D+01 -0.990779D+01 -0.869053D+01
               111           112           113           114           115 
      1  -0.845967D+00 -0.109264D+01 -0.583473D+01 -0.286422D+01 -0.168084D+00
      2   0.849472D+01 -0.880600D+01 -0.832803D+01  0.117135D+02  0.133345D+02
      3   0.359566D+01 -0.124293D+01 -0.166838D+02  0.710070D+01 -0.454579D+01
               116           117           118           119           120 
      1   0.842642D+01  0.631737D+00  0.311877D+01 -0.149725D+01 -0.642939D+00
      2   0.103592D+02 -0.314044D+02  0.109485D+02 -0.770021D+01 -0.354031D+01
      3   0.155860D+02 -0.844896D+01 -0.207797D+01  0.349760D+01  0.442684D+01
               121           122           123           124           125 
      1   0.176685D+01  0.112924D+01 -0.626570D+01 -0.333232D+01  0.307559D+01
      2  -0.234806D+01  0.648294D+01  0.188307D+01 -0.717078D+01  0.349941D+01
      3   0.384264D+01  0.173953D+02 -0.586935D+01  0.902593D+01 -0.105441D+02
               126           127           128           129           130 
      1   0.608176D+01  0.231990D+00 -0.181846D+01 -0.905981D+00  0.988920D+00
      2   0.117811D+02  0.544565D+01  0.126404D+01 -0.597774D-01  0.157217D+01
      3  -0.622341D+00  0.451513D+01 -0.354933D+00 -0.970803D+00  0.398942D+01
               131           132           133           134           135 
      1  -0.303347D+00 -0.317687D+01 -0.574481D+00  0.181836D+01  0.174911D+01
      2   0.538084D+00  0.355012D+00 -0.283164D+01  0.118364D-01 -0.153436D+01
      3  -0.111455D+01 -0.587720D+00 -0.162285D+01  0.158517D+01  0.787585D-02
               136           137           138           139           140 
      1   0.144756D+01  0.101907D+01  0.216575D+01 -0.442941D+00 -0.773336D+00
      2  -0.343706D+01  0.302046D+00 -0.941228D+00  0.503986D+00  0.132815D+00
      3  -0.304773D+01 -0.298304D+00 -0.178091D+01  0.132024D+01  0.641098D+00
               141           142           143           144           145 
      1  -0.274065D+01  0.494307D+00  0.301348D+01  0.236758D+01 -0.128005D+01
      2  -0.106459D+01 -0.429786D+01  0.166133D+00  0.993234D+00  0.621683D+01
      3   0.551393D+00 -0.254786D+01 -0.685436D+00 -0.161481D+01  0.324751D+01
               146           147           148           149           150 
      1  -0.263674D+01 -0.309375D+00 -0.741610D+00 -0.126391D+01 -0.187488D+01
      2   0.157791D+01 -0.492629D+00  0.344429D+01  0.560632D+00  0.366753D+00
      3  -0.697281D+00 -0.536010D+00  0.264441D+01 -0.959678D+00  0.113044D-01
               151           152           153           154           155 
      1   0.265659D+00  0.264163D+01  0.200516D+00 -0.364332D+00  0.135080D+01
      2  -0.235415D+01 -0.347954D+00 -0.108224D+01 -0.387629D+01  0.616515D+00
      3  -0.786893D+00  0.214293D+01 -0.240788D+00 -0.121889D+01 -0.403536D+00
               156           157           158           159           160 
      1   0.572425D+00  0.653952D-01 -0.133568D+01 -0.803336D+00 -0.146529D+01
      2  -0.637687D+00  0.375808D+00  0.319269D+00 -0.139442D+01 -0.481863D+01
      3  -0.364408D+00  0.798920D+00  0.575787D+00 -0.245245D+00 -0.676768D+00
               161           162           163           164           165 
      1   0.433942D+01 -0.128032D+01  0.105372D+01  0.103508D+01 -0.854332D+00
      2   0.146521D+00  0.179759D+01 -0.368262D+01 -0.542396D+00  0.191778D+01
      3  -0.141599D+01  0.647003D-01 -0.154001D+01 -0.498536D+01 -0.841520D+00
               166           167           168           169           170 
      1   0.149711D+01  0.556662D+01 -0.295753D+01 -0.937982D+00 -0.101487D+01
      2  -0.143995D+01 -0.220355D+01  0.263522D+01  0.158108D+01  0.266876D+01
      3  -0.309522D+01 -0.233485D+02 -0.144184D+01 -0.272143D+01  0.316010D+01
               171           172           173           174           175 
      1   0.150318D+00 -0.154872D+01  0.539233D+00 -0.969024D+00 -0.141212D+00
      2   0.124312D+01  0.408709D+01  0.746867D+00  0.461630D+01  0.108409D+01
      3  -0.164960D+01  0.287632D+01 -0.264804D+01  0.741736D+00 -0.218667D+01
               176           177           178           179           180 
      1  -0.602581D+00  0.164746D+00 -0.181160D+01  0.298151D+01 -0.726522D+01
      2   0.154638D+01 -0.270334D+01  0.876868D+00  0.207827D+01  0.211556D+02
      3  -0.569066D+00 -0.232936D+01  0.208353D+01 -0.344754D+01  0.767428D+00
               181           182           183           184           185 
      1  -0.183412D+01  0.874895D+00 -0.138418D+00  0.406619D+00 -0.149614D+00
      2  -0.769935D+01  0.623257D+00 -0.359010D+01  0.238626D+01 -0.434005D+01
      3  -0.513558D+01  0.144398D+01 -0.184087D+00  0.411565D+01  0.136217D+00
               186           187           188           189           190 
      1  -0.483704D+00 -0.792624D+00  0.332478D+01 -0.113576D+01  0.108237D+00
      2   0.420820D+01 -0.732493D+01  0.410089D+01 -0.313672D+02 -0.286353D+01
      3   0.395531D+01 -0.551186D+00  0.506803D+01 -0.376575D+01 -0.700200D+01
               191           192           193           194           195 
      1   0.588416D-01 -0.603083D+00  0.308227D+00  0.343903D+00 -0.325124D+01
      2  -0.807400D+00  0.303651D+01 -0.165429D+01 -0.693504D+01  0.698819D+01
      3  -0.773598D+01  0.570677D+00 -0.135593D+02 -0.444096D+02  0.628012D+01
               196           197           198           199           200 
      1  -0.576460D+00  0.362223D+00  0.440967D+00 -0.697741D+00  0.425180D+00
      2   0.464979D+01  0.550109D+01 -0.136657D+01  0.772956D+01  0.168655D+00
      3   0.164102D+01  0.847692D+01 -0.462468D+01  0.272734D+01 -0.319207D+01
               201           202           203           204           205 
      1  -0.865365D+00  0.131600D+00 -0.464362D+00 -0.448610D+00 -0.112133D+01
      2   0.954570D+01 -0.861202D+00  0.338370D+01 -0.416855D+01  0.149967D+02
      3   0.567693D+00 -0.409806D+01 -0.878858D+00 -0.338917D+01  0.357979D+00
               206           207           208           209           210 
      1   0.299677D+01 -0.276549D+01  0.888670D+00 -0.959977D+00 -0.999422D-02
      2  -0.135438D+01  0.378085D+02 -0.133852D+02  0.424117D+01  0.121858D+02
      3  -0.681012D+01  0.325602D+01  0.144736D+02 -0.115978D+02 -0.550409D+01
               211           212           213           214           215 
      1  -0.358505D+00  0.102943D+01 -0.591525D+00 -0.522114D+00  0.185710D+01
      2   0.663058D+01 -0.672412D+01 -0.857052D+01  0.144697D+02 -0.594280D+01
      3  -0.137544D+02  0.997135D+01  0.728470D+01 -0.737507D+01  0.983108D+01
               216           217           218           219           220 
      1   0.164854D+00 -0.374318D+01  0.173949D+01  0.438752D+01  0.291658D+01
      2  -0.104770D+02 -0.658129D+01  0.458485D+01  0.708903D+01  0.415657D+01
      3   0.705685D+01  0.518120D+01 -0.978760D+01 -0.140325D+01 -0.390378D+01
               221           222           223           224           225 
      1  -0.309407D+01 -0.441893D+01  0.426477D+01 -0.241374D+01 -0.387305D+01
      2  -0.675375D+01 -0.645157D+01  0.622858D+01 -0.806403D+01 -0.707816D+01
      3   0.116268D+02  0.450284D+01 -0.130860D+01  0.913541D+01  0.506649D+01
               226           227           228           229           230 
      1   0.165522D+01 -0.905224D-01  0.217445D+01 -0.516833D+00  0.165818D+01
      2   0.306788D+01 -0.998012D+00  0.438186D+01 -0.476302D+00  0.368969D+01
      3   0.372067D+01 -0.250502D+01 -0.122144D-01  0.193247D+00  0.335229D+01
               231           232           233           234           235 
      1  -0.373432D+01  0.272982D+01 -0.124963D+01  0.131499D+02 -0.107987D+01
      2  -0.415880D+01  0.182045D+01 -0.855907D+01  0.232894D+02 -0.417173D+01
      3  -0.356001D+01 -0.110080D+01 -0.937414D+01  0.758805D+01  0.267184D+02
               236           237           238           239           240 
      1  -0.370727D+00 -0.235494D+01  0.957894D-01 -0.949061D+00 -0.183586D+01
      2  -0.865395D+00 -0.122373D+01 -0.485471D+00 -0.172173D+01 -0.119712D+01
      3   0.100412D+02  0.351753D+01  0.103740D+02  0.655121D+01  0.229283D+01
               241           242           243           244           245 
      1  -0.206276D+01 -0.917961D-01 -0.832851D-01 -0.182286D+01  0.835862D+00
      2  -0.417814D+01 -0.259954D+01 -0.290171D+00  0.463234D+01  0.417088D+00
      3   0.317094D+01  0.344378D+01  0.421641D+01  0.395194D+01 -0.239551D+01
               246           247           248           249           250 
      1  -0.752818D+00  0.579290D+00 -0.280862D+01  0.767522D+00 -0.116777D+01
      2   0.338366D+01  0.142112D+01  0.416404D+01 -0.584257D+01  0.189814D+01
      3   0.116249D+01 -0.380837D+00  0.455646D+01 -0.490003D+01  0.118666D+00
               251           252           253           254           255 
      1   0.453841D+01 -0.262485D+01  0.347469D+01  0.130081D+01 -0.482078D+01
      2  -0.515865D+01  0.143369D+02 -0.595846D+01  0.469914D+01  0.126176D+02
      3  -0.615477D+01  0.580541D+01 -0.304149D+01 -0.142138D+02 -0.967715D+01
               256           257           258           259           260 
      1   0.313097D+01 -0.432520D+00  0.716693D+01 -0.256066D+01  0.126455D+02
      2   0.311480D+01  0.467263D+01 -0.901841D+01  0.904564D+01 -0.117405D+02
      3  -0.154324D+02 -0.929993D+01 -0.739107D+01 -0.860364D+01 -0.452368D+01
               261           262           263           264           265 
      1  -0.391257D+01 -0.246608D+01  0.905842D+00  0.293309D+01  0.217969D+01
      2  -0.126433D+01 -0.640920D+01  0.549288D+01  0.681234D+01  0.394396D+01
      3   0.145077D+02  0.613827D+01 -0.842993D+01 -0.274552D+01 -0.479713D+01
               266           267           268           269           270 
      1  -0.187318D+01 -0.258119D+01  0.341579D+01 -0.148532D+01 -0.466002D+01
      2  -0.522665D+01 -0.568185D+01  0.104065D+02 -0.103365D+02 -0.135807D+02
      3   0.102669D+02  0.340128D+01 -0.754794D+01  0.118407D+02  0.747863D+01
               271           272           273           274           275 
      1  -0.246914D+01 -0.104302D+01  0.383391D+01 -0.530139D+00 -0.582504D+00
      2   0.864033D+01 -0.524157D+01 -0.801633D+01 -0.233984D+01  0.509782D+01
      3  -0.876337D+01  0.749283D+01  0.774781D+01  0.550444D+01 -0.661937D+01
               276           277           278           279           280 
      1  -0.297902D+01  0.261454D+01 -0.628371D+00 -0.579491D+01  0.247699D+01
      2   0.507910D+01 -0.795814D+01  0.832491D+01  0.135390D+02 -0.203741D+01
      3  -0.528410D+01  0.636286D+01 -0.773063D+01 -0.112993D+02 -0.332347D+01
               281           282           283           284           285 
      1  -0.629486D+00  0.196229D+01 -0.298447D-02  0.673279D+01 -0.712576D+01
      2  -0.309997D+00 -0.138881D+01 -0.882169D+00 -0.519853D+01  0.537249D+01
      3   0.267464D+01 -0.139785D+01  0.278666D+01 -0.949363D+01  0.543143D+01
               286           287           288           289           290 
      1   0.149836D+01 -0.515690D+01  0.111363D+02 -0.131031D+01  0.191351D+01
      2  -0.283990D+01  0.563033D+01 -0.927391D+01 -0.212962D+01  0.208453D+00
      3  -0.301046D+01  0.101147D+02 -0.695981D+01  0.730549D+01 -0.575982D+01
               291           292           293           294           295 
      1  -0.303913D+01  0.757544D+00  0.582116D+00 -0.194020D+01 -0.256540D+01
      2   0.494413D+01 -0.954078D-01 -0.471307D+00  0.217129D+01  0.222814D+01
      3   0.125083D+01 -0.871339D+00 -0.140906D+01 -0.908967D-01  0.208843D+01
               296           297 
      1  -0.636767D+00 -0.123005D+01
      2   0.271041D+01  0.313743D+01
      3  -0.144321D+01 -0.985266D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.587537D+01 -0.100796D+02  0.183088D+02  0.148508D+02 -0.138388D+02
      2  -0.362183D+01  0.240479D+01 -0.202054D+01 -0.877339D+00  0.211208D+02
      3   0.949720D+01  0.767481D+01 -0.162883D+02 -0.139735D+02 -0.728201D+01
      4  -0.957641D+01 -0.551233D+01  0.867240D+01  0.110593D+01  0.966161D+00
      5   0.753225D+01  0.674663D+01  0.254968D+01  0.923633D+01  0.287813D+01
      6   0.623703D+01 -0.193441D+01  0.334966D+01  0.669810D+01  0.312421D+00
                 6             7             8             9            10 
      1   0.326018D+01 -0.359066D+02 -0.142738D+02  0.689065D+01  0.610868D+02
      2  -0.504446D+01  0.124380D+02  0.839355D+01 -0.869987D+01 -0.236607D+02
      3   0.178428D+01  0.234685D+02  0.588023D+01  0.180922D+01 -0.374261D+02
      4   0.354863D+01 -0.385548D+01  0.161329D+01 -0.554465D+01  0.230670D+01
      5  -0.728303D+01  0.562782D+01 -0.673120D+01  0.328022D+01  0.432879D+01
      6   0.226029D+00 -0.109257D+02 -0.729951D+01  0.740017D+01  0.200111D+01
                11            12            13            14            15 
      1   0.125204D+01  0.543242D+01 -0.448035D+01 -0.534227D+01  0.839677D+01
      2   0.142785D+01 -0.552507D+01  0.403759D+01  0.666863D+01 -0.338514D+01
      3  -0.267989D+01  0.926462D-01  0.442763D+00 -0.132636D+01 -0.501162D+01
      4   0.313813D+01 -0.477304D+01  0.900710D+01  0.315736D+01  0.105175D+01
      5  -0.470379D+01  0.458725D+01  0.123480D+02  0.308727D+00  0.189546D+01
      6  -0.176702D+01  0.255974D+01  0.487093D+01  0.337387D+01  0.105845D+02
                16            17            18            19            20 
      1   0.720595D+01  0.112309D+02 -0.141579D+02  0.115314D+02  0.166415D+02
      2   0.319241D+01  0.329534D+01  0.303450D+01  0.269734D+01 -0.122201D+02
      3  -0.103984D+02 -0.145263D+02  0.111234D+02 -0.142288D+02 -0.442131D+01
      4   0.191906D+02  0.101084D+01 -0.657499D+00  0.270766D+01  0.268830D+01
      5  -0.698717D+01 -0.101061D+00  0.308076D+01 -0.128778D+02  0.223297D+01
      6   0.455977D+01  0.642731D+01 -0.408558D+01 -0.294090D+01  0.395770D+01
                21            22            23            24            25 
      1  -0.154167D+02 -0.147590D+02 -0.308624D+01 -0.155190D+02  0.164185D+02
      2   0.116125D+02  0.431015D+01  0.100242D+02 -0.624826D+01 -0.487944D+01
      3   0.380423D+01  0.104488D+02 -0.693801D+01  0.217673D+02 -0.115390D+02
      4   0.602386D+00  0.123073D+02 -0.656394D+01 -0.957044D+00  0.292666D+01
      5  -0.109494D+02 -0.482623D+00 -0.933808D+00 -0.412267D+00  0.761994D+01
      6  -0.618143D+01 -0.473616D+01 -0.258531D+01  0.454272D+00  0.135996D+02
                26            27            28            29            30 
      1  -0.703976D+01  0.222619D+01  0.160913D+02  0.405536D+01  0.278056D+00
      2  -0.101303D+01 -0.218756D+01 -0.435416D+01 -0.180499D+01 -0.288244D+01
      3   0.805279D+01 -0.386283D-01 -0.117372D+02 -0.225037D+01  0.260438D+01
      4  -0.227180D+01  0.914313D+01  0.401648D+01  0.543921D+01 -0.200073D+01
      5   0.855206D+01 -0.613854D+01  0.681288D+01 -0.148979D+01  0.660440D+01
      6   0.122295D+01  0.126269D+02  0.908039D+01  0.377752D+01 -0.705256D+00
                31            32            33            34            35 
      1  -0.975463D+01 -0.680086D+01  0.986546D+01  0.104681D+01  0.126575D+02
      2  -0.145700D+01  0.322436D+01 -0.393519D+01  0.514331D+01  0.231294D+01
      3   0.112116D+02  0.357650D+01 -0.593027D+01 -0.619012D+01 -0.149704D+02
      4   0.103094D+02  0.348024D+01  0.344055D+01  0.212827D+02  0.307292D+01
      5   0.176066D+02  0.460032D+01  0.177774D+01 -0.414227D+01 -0.336568D+01
      6   0.469208D+01  0.493744D+01  0.986802D+01  0.248596D+01  0.657447D+01
                36            37            38            39            40 
      1  -0.154376D+02  0.295796D+01 -0.824756D+01  0.206292D+02  0.118138D+02
      2   0.318907D+01 -0.826599D+01  0.176378D+01 -0.429017D+01  0.959411D+00
      3   0.122485D+02  0.530803D+01  0.648378D+01 -0.163390D+02 -0.127733D+02
      4  -0.363938D+01 -0.116623D+02 -0.560727D+01  0.580874D+01  0.456448D+01
      5  -0.145614D+01  0.892833D+01  0.371520D+01  0.332772D+01  0.475412D+01
      6  -0.537720D+01  0.345213D+01 -0.309338D+01 -0.152685D+01  0.352803D+01
                41            42            43            44            45 
      1  -0.601610D+01 -0.829901D-01 -0.238242D+02 -0.119019D+02  0.977080D+01
      2   0.121092D+02 -0.175271D+01  0.465490D+01  0.366021D+01 -0.769405D+01
      3  -0.609306D+01  0.183570D+01  0.191693D+02  0.824170D+01 -0.207676D+01
      4   0.950943D+00  0.913241D+00 -0.732181D+01 -0.408423D+01 -0.612846D+01
      5   0.231954D+01 -0.876075D+01  0.818791D+01 -0.566039D+01  0.128554D+01
      6   0.256108D+01  0.165114D+01 -0.138491D+02 -0.528444D+01  0.683299D+01
                46            47            48            49            50 
      1  -0.567152D+01  0.108209D+02 -0.140960D+02 -0.230877D+02  0.223122D+01
      2   0.101841D+02 -0.609281D+01  0.910342D+01  0.809978D+01  0.371832D+01
      3  -0.451255D+01 -0.472813D+01  0.499263D+01  0.149879D+02 -0.594954D+01
      4   0.685955D+01  0.677708D+01 -0.503039D+00  0.127450D+02 -0.455585D+01
      5  -0.130009D+02  0.148512D+01 -0.868811D+01 -0.751563D+01 -0.524258D+00
      6   0.122105D+01  0.290422D+01 -0.493513D+01 -0.278211D+01  0.232259D+01
                51            52            53            54            55 
      1  -0.221151D+02  0.247939D+02 -0.601146D+01  0.116220D+01 -0.629695D+02
      2   0.661271D-01 -0.665687D+01 -0.971284D+00  0.808508D+00  0.231788D+02
      3   0.220490D+02 -0.181370D+02  0.698275D+01 -0.197071D+01  0.397908D+02
      4  -0.139066D-01  0.293182D+01 -0.137287D+01  0.552976D+01  0.767456D+01
      5   0.102195D+01  0.507339D+01  0.529130D+01 -0.591336D+01  0.466191D+01
      6   0.402426D+01  0.896361D+01  0.238474D+01  0.151917D+02  0.253032D-01
                56            57            58            59            60 
      1   0.112640D+02  0.406539D+01  0.454511D+02 -0.109558D+02 -0.585414D+01
      2  -0.817948D+01 -0.310876D-01 -0.336401D+02 -0.122834D+02  0.127377D+01
      3  -0.308451D+01 -0.403430D+01 -0.118110D+02  0.232393D+02  0.458037D+01
      4  -0.168876D+02 -0.254108D+01 -0.362476D+02 -0.430362D+02  0.155789D+01
      5  -0.246392D+01 -0.731561D+01 -0.662623D+01  0.299057D+01  0.536374D+01
      6  -0.184252D+01 -0.108789D+01 -0.401869D+01 -0.186800D+01  0.128273D+01
                61            62            63            64            65 
      1   0.428767D+02 -0.838055D+01 -0.137461D+01 -0.172641D+02 -0.351418D+02
      2  -0.127719D+02  0.566579D+01  0.133300D+02  0.149935D+02  0.147559D+02
      3  -0.301048D+02  0.271475D+01 -0.119554D+02  0.227061D+01  0.203859D+02
      4  -0.768084D+01  0.116521D+02  0.218755D+01 -0.384591D+02  0.163460D+02
      5  -0.201326D+02  0.237576D+01 -0.400500D+02 -0.132829D+02  0.377138D+01
      6  -0.203550D+01  0.219232D+00 -0.591056D+01  0.239104D+01  0.168975D+01
                66            67            68            69            70 
      1  -0.986608D+01 -0.796097D+02  0.286065D+02  0.791050D-01 -0.470845D+02
      2   0.715877D+01  0.407561D+02 -0.157433D+02 -0.118453D+00  0.196767D+02
      3   0.270731D+01  0.388535D+02 -0.128632D+02  0.393482D-01  0.274078D+02
      4   0.356217D+01  0.281513D+02  0.380837D+02 -0.532602D+01  0.590130D+01
      5   0.164164D+02  0.630785D+01 -0.660278D+01 -0.132437D+02  0.326815D+02
      6  -0.219174D+00 -0.149449D+01  0.277573D+01 -0.373827D+00 -0.153033D+01
                71            72            73            74            75 
      1   0.208173D+01  0.279008D+02  0.275874D+02  0.424799D+02  0.257789D+02
      2  -0.152194D+01 -0.669455D+01 -0.125096D+02 -0.241297D+02 -0.118635D+02
      3  -0.559793D+00 -0.212062D+02 -0.150778D+02 -0.183502D+02 -0.139155D+02
      4  -0.106134D+02 -0.143899D+02  0.435490D+02 -0.203110D+02 -0.763819D+01
      5  -0.138700D+02  0.605899D+02  0.289908D+02 -0.850688D+01 -0.309775D+02
      6   0.484257D+01  0.429764D+00 -0.222985D+00  0.139769D+01  0.414581D-01
                76            77            78            79            80 
      1   0.620025D+02 -0.306298D+02 -0.125617D+02  0.440702D+02 -0.109711D+02
      2  -0.368347D+02  0.635444D+01  0.800447D+01 -0.186102D+02  0.751535D+01
      3  -0.251678D+02  0.242754D+02  0.455726D+01 -0.254600D+02  0.345574D+01
      4  -0.391521D+02 -0.623272D+02  0.237592D+02 -0.100593D+02  0.246175D+02
      5  -0.124518D+02  0.263071D+02  0.176471D+02 -0.518602D+02  0.146240D+02
      6   0.384808D+01  0.379626D+01 -0.788094D+00  0.342557D+00 -0.140224D+01
                81            82            83            84            85 
      1  -0.415569D+02  0.383067D+02  0.296262D+02  0.201680D+02  0.348808D+02
      2   0.276302D+02 -0.303329D+02 -0.928230D+01 -0.790193D+01 -0.129107D+02
      3   0.139267D+02 -0.797388D+01 -0.203439D+02 -0.122661D+02 -0.219701D+02
      4   0.147519D+02  0.272119D+02 -0.268316D+02 -0.139506D+02 -0.309801D+02
      5  -0.538363D+02  0.202283D+02 -0.100432D+02 -0.149400D+02 -0.962866D+01
      6  -0.283469D+01 -0.131308D+02  0.330997D+01  0.816051D+01  0.542971D+01
                86            87            88            89            90 
      1  -0.274618D+02 -0.343782D+01  0.285764D+02 -0.720849D+01 -0.971870D+01
      2   0.206312D+02 -0.395201D+01 -0.837455D+01 -0.304942D+01  0.354706D+01
      3   0.683063D+01  0.738983D+01 -0.202018D+02  0.102579D+02  0.617163D+01
      4  -0.123844D+02  0.126581D+02 -0.159540D+02  0.215711D+02  0.302265D+02
      5   0.123014D+02  0.186865D+02 -0.245497D+02  0.259653D+02 -0.365775D+02
      6  -0.972073D+01 -0.862460D+01  0.117085D+02 -0.131683D+02  0.168031D+02
                91            92            93            94            95 
      1   0.218072D+01  0.164808D+02  0.907727D+01  0.218387D+02 -0.231244D+01
      2  -0.191546D+01 -0.121593D+02 -0.167376D+01 -0.213302D+02 -0.371043D+01
      3  -0.265262D+00 -0.432154D+01 -0.740351D+01 -0.508520D+00  0.602287D+01
      4   0.133379D+02 -0.991652D+01 -0.316263D+01 -0.343687D+02 -0.212087D+02
      5   0.638118D+01 -0.327353D+01 -0.725241D+01 -0.193087D+02 -0.166638D+02
      6  -0.661466D+00 -0.456221D+01 -0.169947D+01 -0.115814D+02 -0.963245D+01
                96            97            98            99           100 
      1  -0.773362D+01  0.265531D+02 -0.100339D+02 -0.962561D+01 -0.107481D+02
      2  -0.618890D+01 -0.104420D+02 -0.452402D+01  0.133124D+02  0.600515D+01
      3   0.139225D+02 -0.161112D+02  0.145580D+02 -0.368680D+01  0.474300D+01
      4  -0.158652D+02 -0.178035D+02 -0.540528D+01  0.204267D+02 -0.110336D+02
      5   0.145546D+02 -0.220284D+02  0.207094D+02 -0.157964D+02  0.142555D+02
      6  -0.859196D+01  0.239127D+01 -0.185361D+01  0.587324D+01  0.270012D+01
               101           102           103           104           105 
      1  -0.122354D+02  0.300800D+01 -0.245613D+02  0.384288D+01  0.228728D+02
      2   0.114523D+02 -0.715060D+01  0.236686D+02 -0.116944D+02 -0.201403D+02
      3   0.783048D+00  0.414260D+01  0.892691D+00  0.785156D+01 -0.273248D+01
      4  -0.543168D+01  0.125634D+02 -0.374091D+01  0.656018D+01 -0.432799D+01
      5   0.131989D+02 -0.252461D+01  0.387928D+02 -0.415489D+01 -0.288484D+02
      6   0.352671D+01 -0.153797D+01 -0.303695D+01  0.541424D+01 -0.686243D+00
               106           107           108           109           110 
      1   0.290311D+02  0.162329D+02 -0.210563D+01  0.516506D+02  0.167611D+02
      2  -0.189066D+02 -0.950462D+01  0.100265D+02 -0.319971D+02 -0.100688D+02
      3  -0.101245D+02 -0.672828D+01 -0.792090D+01 -0.196534D+02 -0.669235D+01
      4   0.214041D+02  0.137079D+02 -0.230031D+02  0.203613D+02  0.199499D+02
      5  -0.122756D+02 -0.225756D+02  0.287108D+02 -0.364200D+02 -0.113202D+02
      6  -0.424775D+01 -0.412618D+01  0.423654D+01 -0.455283D+01 -0.421662D+01
               111           112           113           114           115 
      1  -0.244911D+02  0.364364D+02  0.656125D+01 -0.110148D+02 -0.490435D+02
      2   0.178879D+02 -0.206784D+02 -0.231211D+01  0.117404D+02  0.320821D+02
      3   0.660320D+01 -0.157580D+02 -0.424914D+01 -0.725574D+00  0.169615D+02
      4  -0.870179D+01  0.209600D+02  0.348643D+02 -0.155260D+02 -0.104415D+02
      5   0.236855D+02 -0.244519D+02 -0.161634D+02  0.258938D+02  0.460600D+02
      6   0.367905D+01 -0.449351D+01 -0.878735D+01  0.108391D+02  0.113156D+01
               116           117           118           119           120 
      1  -0.438196D+01  0.109536D+02  0.218442D+01 -0.443341D+01  0.160940D+02
      2   0.773993D+01 -0.298469D+02  0.109690D+01  0.144323D+01 -0.655180D+01
      3  -0.335797D+01  0.188933D+02 -0.328132D+01  0.299018D+01 -0.954218D+01
      4  -0.284463D+02  0.210312D+02  0.282613D+01 -0.577069D+01 -0.193770D+02
      5   0.208100D+02 -0.638424D+02  0.218885D+02 -0.158335D+02 -0.903211D+01
      6   0.123159D+02 -0.886575D+01 -0.905492D+01  0.759430D+01  0.477741D+01
               121           122           123           124           125 
      1  -0.112658D+02 -0.153040D+02 -0.148364D+02  0.308943D+02 -0.215909D+02
      2  -0.159618D+01  0.315666D+02  0.715552D+01 -0.105827D+02  0.512739D+01
      3   0.128620D+02 -0.162627D+02  0.768086D+01 -0.203117D+02  0.164635D+02
      4   0.129064D+02 -0.354948D+02  0.173335D+02 -0.367280D+02  0.341657D+02
      5  -0.194029D+02  0.191486D+02  0.618717D+01 -0.129885D+02  0.845057D+01
      6   0.670556D+01 -0.328028D+01  0.358097D+01  0.819749D+01  0.858639D+00
               126           127           128           129           130 
      1  -0.128075D+02  0.180609D+01 -0.361980D+01  0.190161D+01 -0.301666D+00
      2   0.563499D+01  0.545549D+00  0.499619D+01 -0.725350D+00  0.997357D+00
      3   0.717248D+01 -0.235164D+01 -0.137639D+01 -0.117626D+01 -0.695691D+00
      4   0.107858D+02  0.108880D+02  0.953457D+01 -0.714385D+01  0.858011D+01
      5   0.258208D+02 -0.128014D+02 -0.811951D+01  0.104466D+02 -0.105564D+02
      6  -0.103703D+02 -0.869020D+01 -0.764751D+01  0.777462D+01 -0.832672D+01
               131           132           133           134           135 
      1  -0.863087D+01  0.802324D+01  0.516417D+01  0.109348D+02 -0.131023D+02
      2   0.798655D+01 -0.320237D+01 -0.126341D+01 -0.675972D+01  0.205535D+01
      3   0.644317D+00 -0.482087D+01 -0.390076D+01 -0.417505D+01  0.110469D+02
      4   0.104111D+02 -0.739796D+01 -0.777597D+01 -0.776538D+01  0.833250D+01
      5  -0.895228D+01  0.102984D+02  0.110223D+02  0.947598D+01 -0.147254D+02
      6  -0.121640D+02  0.118041D+02  0.936309D+01  0.139285D+02 -0.159526D+02
               136           137           138           139           140 
      1  -0.309290D+01  0.200625D+01 -0.585763D+01  0.363474D+01 -0.790596D+01
      2  -0.326520D+01  0.333450D+00 -0.392436D+01  0.180126D+00  0.218825D+01
      3   0.635810D+01 -0.233970D+01  0.978199D+01 -0.381486D+01  0.571771D+01
      4  -0.487615D+01  0.397733D+01 -0.553165D+01  0.326778D+01 -0.364844D+01
      5   0.905780D+01 -0.392463D+01  0.113344D+02 -0.382500D+01  0.331365D+01
      6  -0.497791D+01  0.342547D+01 -0.532650D+01  0.380302D+01 -0.834724D+01
               141           142           143           144           145 
      1   0.129223D+02 -0.785499D+01  0.125135D+02 -0.282589D+02  0.377705D+01
      2   0.553228D+00 -0.209901D+01 -0.205384D+01 -0.621402D+01 -0.214854D+01
      3  -0.134755D+02  0.995400D+01 -0.104596D+02  0.344730D+02 -0.162851D+01
      4   0.437325D+01 -0.603087D+01  0.648234D+01 -0.976235D+01  0.510890D+01
      5  -0.476959D+01  0.104044D+02 -0.595785D+01  0.159603D+02 -0.955836D+01
      6   0.115456D+02 -0.791304D+01  0.131348D+02 -0.212611D+02 -0.363282D+01
               146           147           148           149           150 
      1  -0.159948D+01  0.114656D+01 -0.231565D+01 -0.547642D+01  0.608673D+01
      2   0.179092D+01  0.100032D+01  0.450471D+00  0.354050D+01 -0.610770D+00
      3  -0.191438D+00 -0.214688D+01  0.186518D+01  0.193592D+01 -0.547596D+01
      4   0.503184D+01 -0.299896D+01  0.487025D+01  0.556544D+01 -0.337180D+01
      5  -0.412217D+01  0.746856D+01 -0.669168D+01 -0.577345D+01  0.773987D+01
      6  -0.321005D+01  0.376449D+01 -0.419150D+01 -0.673076D+01  0.684092D+01
               151           152           153           154           155 
      1   0.313426D+01  0.699765D+01 -0.104356D+02 -0.113645D+01  0.293793D+00
      2   0.958168D+00 -0.296395D+01 -0.121638D+01 -0.420291D+01  0.123878D+01
      3  -0.409243D+01 -0.403370D+01  0.116520D+02  0.533936D+01 -0.153258D+01
      4  -0.405552D+01 -0.423739D+01  0.403833D+01 -0.353875D+01  0.283690D+01
      5   0.930719D+01  0.582170D+01 -0.116415D+02  0.761835D+01 -0.301526D+01
      6   0.545431D+01  0.802867D+01 -0.954498D+01 -0.203477D+01  0.198930D+01
               156           157           158           159           160 
      1  -0.378389D+01  0.321204D+01 -0.579830D+01  0.105164D+02 -0.289730D+01
      2  -0.488453D+01  0.774011D-01  0.618559D+00  0.204443D+01 -0.529068D+01
      3   0.866842D+01 -0.328945D+01  0.517974D+01 -0.125609D+02  0.818797D+01
      4  -0.339509D+01  0.246212D+01 -0.254925D+01  0.354120D+01 -0.479838D+01
      5   0.103018D+02 -0.288548D+01  0.314411D+01 -0.402769D+01  0.102912D+02
      6  -0.157422D+01  0.265409D+01 -0.516973D+01  0.669612D+01 -0.388415D+01
               161           162           163           164           165 
      1   0.736367D+01 -0.231607D+02  0.162199D+02  0.707786D+01 -0.198171D+01
      2   0.689606D+00 -0.102076D+02 -0.168702D+01  0.326336D+00  0.721750D+00
      3  -0.805328D+01  0.333684D+02 -0.145328D+02 -0.740420D+01  0.125996D+01
      4   0.498928D+01 -0.714214D+01  0.150288D+02  0.183518D+02  0.187948D+01
      5  -0.468366D+01  0.160005D+02 -0.151714D+01  0.231917D+01  0.348918D+01
      6   0.798977D+01 -0.113956D+02  0.974438D+00  0.159963D+01  0.801302D+00
               166           167           168           169           170 
      1   0.130273D+02 -0.107315D+02 -0.180913D+00 -0.167637D+02  0.397715D+00
      2   0.437379D+01  0.331159D+02  0.511445D+00  0.522546D+01 -0.322062D+01
      3  -0.174011D+02 -0.223844D+02 -0.330532D+00  0.115382D+02  0.282290D+01
      4   0.303354D+02  0.574038D+02  0.321846D+01 -0.358814D+01 -0.753188D+01
      5   0.363392D+01  0.194355D+01  0.526574D+01  0.531972D+01  0.597953D+01
      6   0.332489D+01  0.711149D+01  0.527185D+01  0.197924D+01  0.556965D+01
               171           172           173           174           175 
      1  -0.163685D+01  0.722294D+01 -0.227050D+01  0.582924D+01 -0.115246D+02
      2   0.132503D+01 -0.795511D+01  0.135822D+01 -0.553552D+01  0.686221D+01
      3   0.311816D+00  0.732175D+00  0.912276D+00 -0.293720D+00  0.466243D+01
      4   0.605377D+01 -0.124884D+01  0.462705D+01  0.240648D+01  0.487794D+01
      5   0.175675D+01  0.110515D+02  0.165215D+01  0.137500D+02 -0.215062D+01
      6   0.176492D+00  0.100185D+01  0.119791D+01  0.158864D+01  0.106172D+01
               176           177           178           179           180 
      1  -0.584738D+00 -0.620539D+00  0.112191D+02 -0.235404D+01 -0.120084D+02
      2   0.492898D+00  0.235248D+01 -0.120645D+02  0.619704D+00 -0.153180D+02
      3   0.918396D-01 -0.173194D+01  0.845359D+00  0.173434D+01  0.273264D+02
      4   0.254984D+01  0.475286D+01  0.320833D+01  0.668068D+01  0.501486D+01
      5   0.488735D+01 -0.546521D+01  0.189757D+02  0.487964D+01  0.454215D+02
      6   0.582038D+00  0.411956D+01  0.364356D+01  0.552160D+01  0.108885D+02
               181           182           183           184           185 
      1  -0.428601D+01  0.700636D+01 -0.950110D+01  0.145119D+02 -0.795180D+01
      2  -0.130428D+01 -0.296656D+01  0.308792D+01 -0.717209D+01  0.340407D+01
      3   0.559029D+01 -0.403981D+01  0.641319D+01 -0.733977D+01  0.454773D+01
      4   0.750432D+01 -0.184965D+01 -0.798079D+00 -0.404705D+00 -0.816152D+00
      5  -0.713780D+01 -0.797747D+00 -0.101511D+01  0.730137D+00 -0.693258D+01
      6  -0.280253D+00  0.115281D-01 -0.346109D-01  0.401127D+00 -0.191784D+01
               186           187           188           189           190 
      1   0.174129D+01 -0.179578D+02  0.535032D-01 -0.207201D+02  0.123315D+02
      2   0.288381D+00  0.866422D+01  0.245252D+01 -0.894726D+01 -0.331554D+01
      3  -0.202968D+01  0.929360D+01 -0.250602D+01  0.296674D+02 -0.901593D+01
      4  -0.664169D+01 -0.930627D+00 -0.927572D+01  0.695632D+01  0.160264D+02
      5   0.700690D+01  0.114978D+01  0.682209D+01 -0.561911D+02 -0.613873D+01
      6   0.667126D+01 -0.170042D+00  0.345469D+01 -0.165158D+01 -0.125989D+01
               191           192           193           194           195 
      1   0.145883D+02 -0.580674D+01  0.339766D+02  0.214422D+02 -0.110600D+01
      2  -0.500555D+01  0.258449D+01 -0.113793D+02  0.685834D+01 -0.999735D+00
      3  -0.958271D+01  0.322225D+01 -0.225973D+02 -0.283006D+02  0.210573D+01
      4   0.198263D+02 -0.233755D+01  0.436163D+02  0.895098D+02 -0.127492D+02
      5  -0.238680D+01  0.624026D+01 -0.507198D+01 -0.142926D+02  0.131802D+02
      6  -0.599871D+00  0.520382D+00 -0.236485D+01 -0.482641D+01  0.565637D+01
               196           197           198           199           200 
      1  -0.124317D+02 -0.170941D+01  0.788406D+01  0.216019D+02 -0.424995D+01
      2   0.571554D+01 -0.689195D+00 -0.404217D+01 -0.141265D+02  0.268511D+01
      3   0.671615D+01  0.239860D+01 -0.384190D+01 -0.747546D+01  0.156484D+01
      4  -0.600576D+01 -0.162819D+02  0.106848D+02 -0.386622D+01  0.560291D+01
      5   0.141121D+02  0.115367D+02 -0.307546D+01  0.175738D+02  0.174363D+00
      6   0.246179D+01  0.624799D+01 -0.260135D+01  0.486052D+00  0.589472D-01
               201           202           203           204           205 
      1   0.159410D+02 -0.129717D+02  0.676627D+01 -0.131021D+01  0.408376D+02
      2  -0.100490D+02  0.770725D+01 -0.300355D+01  0.142655D+01 -0.261486D+02
      3  -0.589203D+01  0.526444D+01 -0.376272D+01 -0.116337D+00 -0.146889D+02
      4   0.366234D+00  0.119213D+02  0.292195D+01  0.755691D+01  0.275379D+01
      5   0.219290D+02 -0.306315D+01  0.709865D+01 -0.817002D+01  0.435409D+02
      6   0.907350D+00  0.166868D+01 -0.947604D+00  0.398963D+01  0.110190D+01
               206           207           208           209           210 
      1   0.282433D+01  0.258079D+02  0.942854D+02 -0.261041D+02 -0.298547D+02
      2  -0.102033D+01 -0.265305D+02 -0.493702D+02  0.136019D+02  0.163825D+02
      3  -0.180401D+01  0.722615D+00 -0.449152D+02  0.125022D+02  0.134723D+02
      4   0.126761D+02 -0.317245D+01 -0.269454D+02  0.199682D+02  0.923449D+01
      5  -0.230970D+01  0.759673D+02 -0.342597D+02  0.995746D+01  0.247838D+02
      6   0.405152D+01  0.316382D+01  0.153338D+01 -0.961487D+00 -0.447483D+00
               211           212           213           214           215 
      1  -0.588089D+02  0.232833D+02  0.135594D+02 -0.559905D+02  0.107607D+02
      2   0.300493D+02 -0.933855D+01 -0.762834D+01  0.309614D+02 -0.658439D+01
      3   0.287595D+02 -0.139447D+02 -0.593104D+01  0.250291D+02 -0.417634D+01
      4   0.309195D+02 -0.183997D+02 -0.141088D+02  0.129274D+02 -0.172844D+02
      5   0.177537D+02 -0.145774D+02 -0.169714D+02  0.386086D+02 -0.127279D+02
      6  -0.276281D+01  0.223390D+01  0.252616D+01 -0.176430D+01  0.286867D+01
               216           217           218           219           220 
      1   0.281356D+02  0.326974D+02 -0.183335D+02 -0.123745D+02 -0.154819D+02
      2  -0.189511D+02 -0.783637D+01 -0.100060D+01  0.396095D+01 -0.212411D+01
      3  -0.918447D+01 -0.248611D+02  0.193341D+02  0.841351D+01  0.176060D+02
      4  -0.121362D+02 -0.395971D+02  0.378294D+02  0.146828D+02  0.354328D+02
      5  -0.236197D+02 -0.183909D+02  0.116919D+02  0.150700D+02  0.114441D+02
      6   0.229550D+01  0.912034D+01 -0.682116D+01 -0.808956D+01 -0.746782D+01
               221           222           223           224           225 
      1   0.995662D+01  0.327574D+01 -0.192761D+02  0.516937D+01  0.756365D+01
      2   0.105831D+02  0.373383D+01  0.649799D+01  0.475108D+01 -0.250862D+01
      3  -0.205397D+02 -0.700957D+01  0.127781D+02 -0.992046D+01 -0.505503D+01
      4  -0.412406D+02 -0.170124D+02  0.231937D+02 -0.277330D+02 -0.209114D+02
      5  -0.157733D+02 -0.126446D+02  0.201213D+02 -0.184021D+02 -0.167981D+02
      6   0.111158D+02  0.930378D+01 -0.103108D+02  0.120668D+02  0.970743D+01
               226           227           228           229           230 
      1   0.289104D+01 -0.569019D+01  0.653685D+01 -0.289628D+01 -0.120432D+01
      2  -0.989311D+00  0.117708D+01 -0.406421D+01 -0.322530D+00  0.312435D+01
      3  -0.190172D+01  0.451311D+01 -0.247264D+01  0.321881D+01 -0.192004D+01
      4  -0.896545D+01  0.995363D+01 -0.470288D+01  0.804649D+01 -0.984133D+01
      5   0.845548D+01 -0.310384D+01  0.117963D+02 -0.177226D+01  0.832769D+01
      6  -0.302852D+01  0.131375D+01 -0.417108D+01  0.199551D+01 -0.576141D+01
               231           232           233           234           235 
      1   0.347565D+01  0.113040D+02  0.562995D+01 -0.438666D+01 -0.554382D+02
      2  -0.402413D+01 -0.650508D+01 -0.667952D+01 -0.463438D+01  0.314979D+02
      3   0.548482D+00 -0.479889D+01  0.104957D+01  0.902105D+01  0.239403D+02
      4   0.865720D+01 -0.996367D+01  0.195866D+02 -0.213265D+02  0.835539D+01
      5  -0.895289D+01  0.160282D+02 -0.187204D+02  0.486517D+02 -0.499349D+01
      6   0.100709D+02 -0.702521D+01  0.136191D+02 -0.258812D+02  0.455923D+01
               236           237           238           239           240 
      1  -0.205837D+02 -0.956475D+01 -0.148840D+02 -0.147640D+02 -0.306511D+01
      2   0.180421D+02  0.537444D+01  0.126238D+02  0.138331D+02  0.316395D+01
      3   0.254161D+01  0.419031D+01  0.226021D+01  0.930891D+00 -0.988393D-01
      4  -0.819403D+01  0.194177D+01  0.773226D+00 -0.253406D+01 -0.181584D+01
      5  -0.629119D+00 -0.250462D+01 -0.656830D+00 -0.253798D+01 -0.287249D+01
      6   0.230305D+01  0.374253D+01  0.133038D+01  0.229243D+01  0.348221D+01
               241           242           243           244           245 
      1  -0.101497D+02 -0.457588D+01 -0.713752D+01  0.125930D+01 -0.572362D+01
      2   0.476042D+01  0.408825D+01  0.362431D+01 -0.575175D+01  0.422881D+01
      3   0.538926D+01  0.487629D+00  0.351321D+01  0.449245D+01  0.149481D+01
      4   0.208614D+01 -0.455962D+01 -0.439802D+01 -0.696868D+01  0.537421D+01
      5   0.691916D+00 -0.532180D+01  0.104729D+01  0.114883D+02 -0.309501D+01
      6   0.232447D+01  0.496309D+01  0.863977D+00 -0.367064D+01  0.121149D+01
               246           247           248           249           250 
      1   0.508614D+01 -0.811743D+01 -0.828134D+00  0.364099D+01  0.528929D+01
      2  -0.548396D+01  0.553390D+01 -0.212218D+01  0.334824D+01 -0.799674D+01
      3   0.397819D+00  0.258353D+01  0.295031D+01 -0.698923D+01  0.270745D+01
      4  -0.267917D+01  0.822179D+01 -0.954322D+01  0.974904D+01 -0.310814D+01
      5   0.124320D+02 -0.441426D+01  0.102469D+02 -0.139878D+02  0.177891D+02
      6  -0.108603D+01  0.310892D+01 -0.585593D+01  0.763402D+01 -0.203059D+01
               251           252           253           254           255 
      1   0.156320D+01 -0.571947D+01 -0.428884D+02 -0.351445D+02 -0.346899D+02
      2   0.524270D+01 -0.152162D+02  0.215194D+02  0.192932D+02  0.127363D+02
      3  -0.680590D+01  0.209357D+02  0.213690D+02  0.158513D+02  0.219536D+02
      4   0.116701D+02 -0.109684D+02 -0.466166D+02 -0.679618D+01 -0.118053D+02
      5  -0.108346D+02  0.359577D+02 -0.417497D+02 -0.795890D+01  0.146823D+01
      6   0.681977D+01 -0.645861D+01 -0.208376D+02  0.217602D+01  0.932541D+01
               256           257           258           259           260 
      1  -0.198092D+02 -0.118446D+01 -0.116328D+01 -0.320409D+02  0.437824D+00
      2   0.200678D+02  0.115330D+02  0.142659D+02  0.127021D+02  0.130073D+02
      3  -0.258518D+00 -0.103485D+02 -0.131026D+02  0.193388D+02 -0.134451D+02
      4   0.137386D+02  0.254445D+02  0.149289D+02 -0.769585D+01  0.970936D+01
      5   0.777549D+00  0.158297D+02 -0.104653D+02  0.468863D+01 -0.171566D+02
      6   0.974721D+01  0.130861D+02 -0.658016D+01  0.762717D+01 -0.139239D+02
               261           262           263           264           265 
      1   0.231870D+02  0.335323D+02 -0.201276D+02 -0.153623D+02 -0.111787D+02
      2  -0.205209D+02 -0.136756D+02  0.639653D+01  0.688978D+01  0.113489D+01
      3  -0.266607D+01 -0.198567D+02  0.137310D+02  0.847248D+01  0.100438D+02
      4  -0.106914D+02 -0.333551D+02  0.275272D+02  0.152940D+02  0.224818D+02
      5   0.601535D+01 -0.209476D+02  0.137139D+02  0.164849D+02  0.968924D+01
      6  -0.411249D+01  0.875600D+01 -0.629135D+01 -0.583914D+01 -0.510965D+01
               266           267           268           269           270 
      1   0.822840D+01  0.394744D+01 -0.256080D+02  0.152172D+02  0.148864D+02
      2   0.308611D+01  0.354249D+00  0.120358D+02 -0.449967D+01 -0.838375D+01
      3  -0.113145D+02 -0.430169D+01  0.135722D+02 -0.107175D+02 -0.650266D+01
      4  -0.292896D+02 -0.119008D+02  0.326317D+02 -0.327481D+02 -0.257608D+02
      5  -0.108132D+02 -0.103881D+02  0.297090D+02 -0.235826D+02 -0.286473D+02
      6   0.755348D+01  0.589526D+01 -0.124525D+02  0.125945D+02  0.131922D+02
               271           272           273           274           275 
      1  -0.128893D+02  0.181479D+02  0.205570D+02  0.821936D+01 -0.154813D+02
      2   0.526929D+01 -0.126297D+02 -0.708255D+01 -0.617343D+01  0.119192D+02
      3   0.762001D+01 -0.551821D+01 -0.134745D+02 -0.204593D+01  0.356211D+01
      4  -0.614013D+00 -0.332924D+01  0.104823D+01  0.137415D+01  0.262278D+01
      5   0.350705D+01 -0.263031D+01 -0.468500D+01  0.186263D+00  0.300069D+01
      6   0.890111D+01 -0.106241D+02 -0.130204D+02 -0.483494D+01  0.112314D+02
               276           277           278           279           280 
      1  -0.111561D+02  0.163932D+02 -0.169247D+02 -0.280893D+02  0.177071D+01
      2   0.667316D+01 -0.584649D+01  0.842681D+01  0.615256D+01  0.135129D+01
      3   0.448289D+01 -0.105467D+02  0.849788D+01  0.219368D+02 -0.312200D+01
      4   0.248744D+01  0.544881D+01  0.742664D+01  0.628218D+01  0.510592D+01
      5   0.556182D+01  0.111366D+01  0.110611D+02  0.155972D+02 -0.144344D+00
      6   0.124310D+02 -0.578268D+01  0.178333D+02  0.228061D+02 -0.880535D+00
               281           282           283           284           285 
      1   0.875941D+01 -0.737555D+00  0.612243D+01 -0.118044D+02  0.479321D+01
      2  -0.723628D+01  0.158609D+01 -0.306787D+01  0.218417D+02 -0.120798D+02
      3  -0.152312D+01 -0.848538D+00 -0.305456D+01 -0.100372D+02  0.728663D+01
      4   0.163094D+01 -0.324276D+00  0.508445D+01  0.148604D+02 -0.831528D+01
      5   0.166166D+01 -0.914781D+00  0.513039D+00 -0.102294D+02  0.101387D+02
      6  -0.529150D-01 -0.277945D+01 -0.481745D+00 -0.699767D+01  0.919234D+01
               286           287           288           289           290 
      1  -0.566057D+01  0.906746D+01 -0.863686D+01  0.790607D+02  0.198489D+02
      2   0.194780D+01 -0.195034D+02  0.125559D+02 -0.359398D+02 -0.270327D+01
      3   0.371276D+01  0.104360D+02 -0.391901D+01 -0.431209D+02 -0.171456D+02
      4  -0.666991D+01 -0.187644D+02  0.707996D+01  0.585993D+02  0.321045D+02
      5  -0.102207D+01  0.967418D+01 -0.179008D+02  0.438452D+02  0.154737D+02
      6  -0.204038D+01  0.803369D+01 -0.130662D+02  0.174165D+02  0.101797D+02
               291           292           293           294           295 
      1   0.180598D+02  0.906693D+01  0.845731D+01  0.171681D+01  0.154244D+02
      2  -0.107036D+02  0.119998D+01  0.101516D+00 -0.477007D+00 -0.104743D+02
      3  -0.735619D+01 -0.102669D+02 -0.855882D+01 -0.123981D+01 -0.495012D+01
      4   0.166786D+02  0.216635D+02  0.142254D+02  0.518699D+01  0.145803D+02
      5   0.217244D+02  0.718250D+01  0.627852D+01  0.504350D+01  0.226927D+02
      6   0.926914D+01  0.620049D+01  0.426883D+01  0.509385D+01  0.877066D+01
               296           297 
      1   0.263968D+01  0.698116D+01
      2  -0.201376D+01 -0.513998D+01
      3  -0.625917D+00 -0.184118D+01
      4   0.774321D+01  0.111074D+02
      5   0.101162D+02  0.144515D+02
      6   0.756398D+01  0.725788D+01
 Leave Link  716 at Mon Sep 27 11:17:43 2021, MaxMem=  6442450944 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.224830D+03  0.101445D+02  0.338518D+01
      2   0.101445D+02  0.142078D+03 -0.962363D+01
      3   0.338518D+01 -0.962363D+01  0.145091D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.382898D+01  0.362103D+01 -0.444988D+01
      2  -0.371870D+02 -0.205434D+01 -0.456845D+02
      3  -0.832474D+01  0.437514D+02 -0.430955D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.267347D+03 -0.285879D+02 -0.589940D+02
      2   0.128645D+03  0.324701D+02  0.368947D+02
      3   0.138702D+03 -0.388220D+01  0.220993D+02
      4   0.115555D+02 -0.846373D+02  0.854801D+01
      5  -0.102608D+02  0.995088D+01 -0.821278D+02
      6   0.147027D+02  0.369407D+02  0.186451D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.107946D+02  0.172756D+01  0.153432D+01 -0.304776D+01 -0.328457D+00
      2   0.172756D+01 -0.564790D+00  0.722881D+00 -0.328457D+00 -0.398202D+01
      3   0.153432D+01  0.722881D+00 -0.303286D+01 -0.235332D+01  0.804594D+00
                 6             7             8             9            10 
      1  -0.235332D+01  0.153366D+02  0.381975D+00  0.128397D+01 -0.335992D+02
      2   0.804594D+00  0.381975D+00 -0.140892D+01  0.146541D+01 -0.194971D+01
      3   0.678033D+00  0.128397D+01  0.146541D+01  0.123182D+01 -0.279109D+01
                11            12            13            14            15 
      1  -0.194971D+01 -0.279109D+01 -0.392474D+01 -0.424524D+01 -0.210172D+01
      2  -0.182844D+01  0.682221D+00 -0.424524D+01 -0.224147D+01 -0.666728D+00
      3   0.682221D+00 -0.262067D+01 -0.210172D+01 -0.666728D+00 -0.151763D+01
                16            17            18            19            20 
      1  -0.697590D+01 -0.228843D+01 -0.215473D+01 -0.136751D+02 -0.262879D+01
      2  -0.228843D+01 -0.495241D+00 -0.851302D+00 -0.262879D+01  0.218976D+01
      3  -0.215473D+01 -0.851302D+00 -0.107546D+01 -0.188593D+01 -0.171649D+01
                21            22            23            24            25 
      1  -0.188593D+01 -0.127464D+02 -0.643533D-01 -0.289860D+00  0.805113D+01
      2  -0.171649D+01 -0.643533D-01 -0.246474D+01  0.109647D+01  0.248214D+01
      3   0.457764D+00 -0.289860D+00  0.109647D+01  0.291252D+01 -0.235894D+00
                26            27            28            29            30 
      1   0.248214D+01 -0.235894D+00  0.308287D+02  0.387403D+01  0.318636D+01
      2   0.696535D+00  0.160414D+01  0.387403D+01  0.221757D+01 -0.440950D-01
      3   0.160414D+01  0.280260D+01  0.318636D+01 -0.440950D-01  0.253922D+01
                31            32            33            34            35 
      1   0.369949D+01  0.430092D+01  0.257924D+01  0.364831D+01  0.286242D+01
      2   0.430092D+01  0.183526D+01  0.142199D+01  0.286242D+01  0.172041D+01
      3   0.257924D+01  0.142199D+01  0.103655D+01  0.266645D+01 -0.446748D+00
                36            37            38            39            40 
      1   0.266645D+01 -0.978356D+01 -0.179773D+01 -0.194751D+01  0.413855D+01
      2  -0.446748D+00 -0.179773D+01  0.908287D-01 -0.110231D+00  0.107474D+01
      3   0.894666D+00 -0.194751D+01 -0.110231D+00  0.288214D+01  0.185688D+01
                41            42            43            44            45 
      1   0.107474D+01  0.185688D+01 -0.154989D+02 -0.164453D+01 -0.115210D+01
      2   0.381366D+01 -0.102588D+01 -0.164453D+01 -0.113226D+00 -0.868754D+00
      3  -0.102588D+01 -0.709838D+00 -0.115210D+01 -0.868754D+00 -0.171791D+01
                46            47            48            49            50 
      1   0.126597D+02  0.231385D+01  0.161490D+01  0.119046D+02 -0.530907D+00
      2   0.231385D+01 -0.128695D+01  0.836492D+00 -0.530907D+00  0.216341D+01
      3   0.161490D+01  0.836492D+00  0.497050D-01  0.113978D+01 -0.155620D+01
                51            52            53            54            55 
      1   0.113978D+01 -0.789339D+01 -0.169239D+01  0.201342D+00  0.211597D+02
      2  -0.155620D+01 -0.169239D+01 -0.754473D+00 -0.130226D+01 -0.917155D+00
      3  -0.264250D+01  0.201342D+00 -0.130226D+01 -0.265916D+01  0.258088D+00
                56            57            58            59            60 
      1  -0.917155D+00  0.258088D+00 -0.488879D+01  0.535191D+01  0.103210D+01
      2   0.236990D+01  0.451396D+00  0.535191D+01  0.591714D+01 -0.237680D+00
      3   0.451396D+00  0.115381D+01  0.103210D+01 -0.237680D+00 -0.926972D+00
                61            62            63            64            65 
      1  -0.729289D+01  0.116045D+01  0.257998D+01 -0.461999D+01  0.426509D+01
      2   0.116045D+01 -0.171740D+01 -0.348195D+00  0.426509D+01 -0.204041D+01
      3   0.257998D+01 -0.348195D+00  0.577602D+01  0.107444D+01 -0.478998D+00
                66            67            68            69            70 
      1   0.107444D+01  0.130437D+02 -0.339358D+01 -0.459531D+00  0.991949D+01
      2  -0.478998D+00 -0.339358D+01 -0.465477D+01  0.576011D+00 -0.687713D+00
      3  -0.219425D+01 -0.459531D+00  0.576011D+00  0.180244D+01 -0.313086D+01
                71            72            73            74            75 
      1  -0.687713D+00 -0.313086D+01 -0.278908D+01 -0.371232D+01 -0.220053D+01
      2   0.145101D+01  0.178699D+01 -0.371232D+01  0.189791D+01  0.686589D+00
      3   0.178699D+01 -0.738667D+01 -0.220053D+01  0.686589D+00  0.274636D+01
                76            77            78            79            80 
      1  -0.624530D+01  0.365827D+01  0.983341D+00 -0.455105D+01  0.918795D+00
      2   0.365827D+01  0.586613D+01 -0.211852D+01  0.918795D+00 -0.237888D+01
      3   0.983341D+00 -0.211852D+01 -0.161632D+01  0.436848D+01 -0.125752D+01
                81            82            83            84            85 
      1   0.436848D+01 -0.331959D+01 -0.434235D+01 -0.274374D+01 -0.558303D+01
      2  -0.125752D+01 -0.434235D+01  0.212812D+01  0.877079D+00  0.224393D+01
      3   0.487176D+01 -0.274374D+01  0.877079D+00  0.178849D+01  0.844218D+00
                86            87            88            89            90 
      1   0.224393D+01  0.844218D+00 -0.441005D+01  0.106798D+01  0.269948D+01
      2   0.248428D+01 -0.137507D+01  0.106798D+01 -0.235565D+01 -0.314786D+01
      3  -0.137507D+01 -0.226170D+01  0.269948D+01 -0.314786D+01  0.465100D+01
                91            92            93            94            95 
      1  -0.651881D+01  0.576961D+00 -0.338233D+00  0.115295D+01 -0.540977D+01
      2   0.576961D+00 -0.236863D+01 -0.833962D+00 -0.540977D+01 -0.371325D+01
      3  -0.338233D+00 -0.833962D+00 -0.153775D+01 -0.292697D+01 -0.271457D+01
                96            97            98            99           100 
      1  -0.292697D+01  0.537164D+01 -0.221580D+01 -0.319899D+01 -0.381845D+01
      2  -0.271457D+01 -0.221580D+01 -0.906271D+00  0.290817D+01 -0.189282D+01
      3   0.179056D+01 -0.319899D+01  0.290817D+01 -0.191219D+01  0.134395D+01
               101           102           103           104           105 
      1  -0.189282D+01  0.134395D+01 -0.468880D+01  0.815302D+00  0.371257D+01
      2  -0.591446D-01  0.139615D+01  0.815302D+00  0.347300D+00 -0.130364D+00
      3   0.139615D+01  0.337673D+00  0.371257D+01 -0.130364D+00 -0.390544D+01
               106           107           108           109           110 
      1   0.390354D+01  0.203910D+01 -0.872358D+00  0.617838D+01  0.234884D+01
      2   0.203910D+01  0.448184D+00 -0.272507D+01  0.234884D+01  0.145325D+01
      3  -0.872358D+00 -0.272507D+01  0.192785D+01 -0.343353D+01 -0.936044D+00
               111           112           113           114           115 
      1  -0.343353D+01  0.717700D+01  0.188710D+01 -0.235104D+01 -0.104020D+02
      2  -0.936044D+00  0.188710D+01  0.419131D+01 -0.181968D+01 -0.122505D+01
      3   0.157121D+01 -0.235104D+01 -0.181968D+01  0.304405D+01  0.411212D+01
               116           117           118           119           120 
      1  -0.122505D+01  0.411212D+01 -0.428601D+00  0.350108D+00  0.226548D+01
      2  -0.289411D+01  0.234257D+01  0.350108D+00 -0.160766D+01 -0.178729D+01
      3   0.234257D+01 -0.695096D+01  0.226548D+01 -0.178729D+01 -0.164077D+01
               121           122           123           124           125 
      1  -0.390228D+01  0.100157D+00 -0.188296D+01  0.491565D+01 -0.341677D+01
      2   0.100157D+00 -0.413290D+01  0.172710D+01 -0.341677D+01  0.380091D+01
      3  -0.188296D+01  0.172710D+01  0.115594D+01 -0.174696D+01  0.937397D+00
               126           127           128           129           130 
      1  -0.174696D+01 -0.351991D+01 -0.192126D+01  0.184975D+01 -0.211673D+01
      2   0.937397D+00 -0.192126D+01 -0.178771D+01  0.141997D+01 -0.172469D+01
      3   0.303453D+01  0.184975D+01  0.141997D+01 -0.151846D+01  0.187756D+01
               131           132           133           134           135 
      1  -0.172469D+01  0.187756D+01  0.235698D+01  0.160970D+01 -0.204796D+01
      2  -0.233351D+01  0.193659D+01  0.160970D+01  0.251883D+01 -0.246756D+01
      3   0.193659D+01 -0.246505D+01 -0.204796D+01 -0.246756D+01  0.349272D+01
               136           137           138           139           140 
      1   0.193477D+01 -0.607616D+00  0.207772D+01 -0.694852D+00  0.389865D+00
      2  -0.607616D+00  0.422842D+00 -0.688303D+00  0.389865D+00 -0.121983D+01
      3   0.207772D+01 -0.688303D+00  0.232895D+01 -0.909594D+00  0.145519D+01
               141           142           143           144           145 
      1  -0.909594D+00  0.194861D+01 -0.120441D+01  0.261540D+01  0.358303D+01
      2   0.145519D+01 -0.120441D+01  0.192788D+01 -0.279321D+01  0.149582D+01
      3  -0.315324D+01  0.261540D+01 -0.279321D+01  0.676044D+01 -0.149644D+01
               146           147           148           149           150 
      1   0.149582D+01 -0.149644D+01  0.174400D+01  0.122063D+01 -0.148424D+01
      2   0.124909D+01 -0.848712D+00  0.122063D+01  0.144952D+01 -0.135343D+01
      3  -0.848712D+00  0.130469D+01 -0.148424D+01 -0.135343D+01  0.204727D+01
               151           152           153           154           155 
      1  -0.207934D+01 -0.127314D+01  0.185329D+01 -0.175873D+01  0.600305D+00
      2  -0.127314D+01 -0.194372D+01  0.187398D+01  0.600305D+00 -0.267931D+00
      3   0.185329D+01  0.187398D+01 -0.328386D+01 -0.188694D+01  0.495961D+00
               156           157           158           159           160 
      1  -0.188694D+01  0.372830D+00 -0.305060D+00  0.699589D+00 -0.231916D+01
      2   0.495961D+00 -0.305060D+00  0.870866D+00 -0.116984D+01  0.106792D+01
      3  -0.213382D+01  0.699589D+00 -0.116984D+01  0.286436D+01 -0.258266D+01
               161           162           163           164           165 
      1   0.106792D+01 -0.258266D+01 -0.372058D+01 -0.171272D+01  0.173467D+00
      2  -0.149539D+01  0.222974D+01 -0.171272D+01 -0.170292D+01 -0.254165D+00
      3   0.222974D+01 -0.664616D+01  0.173467D+00 -0.254165D+00 -0.226619D+00
               166           167           168           169           170 
      1  -0.474309D+01 -0.340098D+01 -0.517116D+00  0.434360D+01  0.372309D+00
      2  -0.340098D+01 -0.852690D+01 -0.463380D+00  0.372309D+00  0.104301D+01
      3  -0.517116D+00 -0.463380D+00 -0.749064D+00 -0.500609D+00 -0.884674D+00
               171           172           173           174           175 
      1  -0.500609D+00 -0.118305D+01  0.308585D+00 -0.127973D+01  0.256829D+01
      2  -0.884674D+00  0.308585D+00 -0.474066D+00 -0.195370D+00 -0.713668D+00
      3  -0.276831D+00 -0.127973D+01 -0.195370D+00 -0.121418D+01  0.287048D+00
               176           177           178           179           180 
      1  -0.713668D+00  0.287048D+00 -0.306032D+01 -0.186964D+00 -0.214403D+01
      2  -0.375349D+00 -0.771474D+00 -0.186964D+00 -0.977227D+00 -0.762501D+00
      3  -0.771474D+00  0.736963D+00 -0.214403D+01 -0.762501D+00 -0.695197D+01
               181           182           183           184           185 
      1   0.118049D+01 -0.106140D+01  0.109500D+01 -0.215034D+01  0.350644D+00
      2  -0.106140D+01  0.427899D+00  0.706374D-01  0.350644D+00  0.563257D-01
      3   0.109500D+01  0.706374D-01  0.743360D+00 -0.124691D+00  0.937393D+00
               186           187           188           189           190 
      1  -0.124691D+00  0.188980D+01 -0.114602D-01  0.357811D+00 -0.889200D+00
      2   0.937393D+00 -0.114602D-01  0.129396D+01 -0.829636D+00 -0.130027D+01
      3  -0.875978D+00  0.357811D+00 -0.829636D+00  0.735898D+01  0.495654D+00
               191           192           193           194           195 
      1  -0.130027D+01  0.495654D+00 -0.340255D+01 -0.348525D+01  0.346772D+00
      2  -0.131845D+01  0.161302D+00 -0.348525D+01 -0.817547D+01  0.113294D+01
      3   0.161302D+00 -0.454803D+00  0.346772D+00  0.113294D+01 -0.108969D+01
               196           197           198           199           200 
      1   0.117290D+01  0.468422D+00 -0.111640D+01 -0.169484D+01  0.345826D+00
      2   0.468422D+00  0.150458D+01 -0.102087D+01  0.345826D+00 -0.381361D+00
      3  -0.111640D+01 -0.102087D+01  0.265766D+00 -0.134853D+01 -0.173829D-01
               201           202           203           204           205 
      1  -0.134853D+01  0.116606D+01 -0.937232D+00  0.245259D+00 -0.387070D+01
      2  -0.173829D-01 -0.937232D+00 -0.264483D+00 -0.660777D+00 -0.261655D+00
      3  -0.149410D+01  0.245259D+00 -0.660777D+00  0.718019D+00 -0.338409D+01
               206           207           208           209           210 
      1  -0.261655D+00 -0.338409D+01 -0.732458D+01  0.214222D+01  0.247102D+01
      2  -0.108619D+01  0.174623D+00  0.214222D+01 -0.143075D+01 -0.754085D+00
      3   0.174623D+00 -0.659413D+01  0.247102D+01 -0.754085D+00 -0.172363D+01
               211           212           213           214           215 
      1   0.540842D+01 -0.238265D+01 -0.128388D+01  0.519364D+01 -0.103188D+01
      2  -0.238265D+01  0.142254D+01  0.117204D+01 -0.103188D+01  0.144711D+01
      3  -0.128388D+01  0.117204D+01  0.131704D+01 -0.287131D+01  0.101975D+01
               216           217           218           219           220 
      1  -0.287131D+01 -0.438227D+01  0.331779D+01  0.176810D+01  0.260918D+01
      2   0.101975D+01  0.331779D+01 -0.332985D+01 -0.114424D+01 -0.306828D+01
      3   0.177817D+01  0.176810D+01 -0.114424D+01 -0.141781D+01 -0.119224D+01
               221           222           223           224           225 
      1  -0.306828D+01 -0.119224D+01  0.294543D+01 -0.190968D+01 -0.195781D+01
      2   0.405002D+01  0.174106D+01 -0.190968D+01  0.290076D+01  0.205964D+01
      3   0.174106D+01  0.138890D+01 -0.195781D+01  0.205964D+01  0.172750D+01
               226           227           228           229           230 
      1  -0.502134D+00  0.930578D+00 -0.802697D+00  0.726844D+00 -0.602216D+00
      2   0.930578D+00 -0.771316D+00  0.258057D+00 -0.602216D+00  0.114936D+01
      3  -0.802697D+00  0.258057D+00 -0.104692D+01  0.219534D+00 -0.107303D+01
               231           232           233           234           235 
      1   0.219534D+00 -0.167286D+01  0.678854D+00 -0.147061D+01  0.819151D+01
      2  -0.107303D+01  0.678854D+00 -0.241061D+01  0.233266D+01  0.126246D+01
      3   0.118762D+01 -0.147061D+01  0.233266D+01 -0.611636D+01  0.113326D+01
               236           237           238           239           240 
      1   0.126246D+01  0.113326D+01  0.110449D+01  0.136893D+01  0.180095D+00
      2   0.245697D+01  0.303038D+00  0.136893D+01  0.139866D+01  0.456191D+00
      3   0.303038D+00  0.707349D+00  0.180095D+00  0.456191D+00  0.650081D+00
               241           242           243           244           245 
      1   0.114769D+01  0.312831D+00  0.385540D+00 -0.319514D+00 -0.111241D+01
      2   0.312831D+00  0.800303D+00  0.879795D+00 -0.111241D+01  0.576791D+00
      3   0.385540D+00  0.879795D+00  0.136325D+00  0.125800D+01 -0.235454D+00
               246           247           248           249           250 
      1   0.125800D+01 -0.191530D+01  0.966608D+00 -0.447283D+00  0.209767D+01
      2  -0.235454D+00  0.966608D+00 -0.145238D+01  0.150602D+01 -0.233926D+00
      3   0.113006D+01 -0.447283D+00  0.150602D+01 -0.196055D+01  0.199197D+01
               251           252           253           254           255 
      1  -0.233926D+00  0.199197D+01 -0.830483D+01 -0.433306D+01 -0.430762D+01
      2   0.184437D+01 -0.156138D+01 -0.433306D+01  0.854805D+00  0.341335D+00
      3  -0.156138D+01  0.527846D+01 -0.430762D+01  0.341335D+00  0.171754D+01
               256           257           258           259           260 
      1   0.184876D+01  0.381316D+01  0.134169D+01 -0.371037D+01  0.606015D+00
      2   0.381316D+01  0.391564D+01  0.230566D+01  0.606015D+00  0.136616D+01
      3   0.134169D+01  0.230566D+01 -0.182891D+01  0.192150D+01 -0.318550D+01
               261           262           263           264           265 
      1   0.192150D+01  0.409450D+01 -0.301396D+01 -0.197255D+01 -0.184097D+01
      2  -0.318550D+01 -0.301396D+01  0.270611D+01  0.137244D+01  0.218770D+01
      3  -0.187755D-01 -0.197255D+01  0.137244D+01  0.171134D+01  0.108270D+01
               266           267           268           269           270 
      1   0.218770D+01  0.108270D+01 -0.392422D+01  0.316792D+01  0.311505D+01
      2  -0.327800D+01 -0.123544D+01  0.316792D+01 -0.351834D+01 -0.265162D+01
      3  -0.123544D+01 -0.130446D+01  0.311505D+01 -0.265162D+01 -0.319825D+01
               271           272           273           274           275 
      1  -0.145947D+01  0.123661D+01  0.172312D+01  0.522828D+00 -0.860195D+00
      2   0.123661D+01 -0.213254D+01 -0.145783D+01 -0.860195D+00  0.171107D+01
      3   0.172312D+01 -0.145783D+01 -0.224045D+01 -0.548322D+00  0.125980D+01
               276           277           278           279           280 
      1  -0.548322D+00  0.201671D+01 -0.493833D+00 -0.113283D+01  0.423318D+00
      2   0.125980D+01 -0.493833D+00  0.229273D+01  0.263402D+01  0.743402D+00
      3   0.150002D+01 -0.113283D+01  0.263402D+01  0.424286D+01 -0.304408D+00
               281           282           283           284           285 
      1   0.743402D+00 -0.304408D+00  0.812162D+00 -0.257178D-01 -0.809181D-01
      2  -0.685162D+00  0.725944D-01 -0.257178D-01  0.302428D+01 -0.162766D+01
      3   0.725944D-01 -0.462455D+00 -0.809181D-01 -0.162766D+01  0.170853D+01
               286           287           288           289           290 
      1  -0.156463D+01 -0.523414D+00 -0.390985D+00  0.125828D+02  0.446353D+01
      2  -0.523414D+00 -0.339149D+01  0.164163D+01  0.446353D+01  0.299624D+01
      3  -0.390985D+00  0.164163D+01 -0.288104D+01  0.341686D+01  0.135450D+01
               291           292           293           294           295 
      1   0.341686D+01  0.189081D+01  0.174838D+01  0.525315D+00  0.296641D+01
      2   0.135450D+01  0.174838D+01  0.114830D+01  0.470702D+00  0.110422D+01
      3   0.178989D+01  0.525315D+00  0.470702D+00  0.468435D+00  0.193878D+01
               296           297 
      1   0.110422D+01  0.193878D+01
      2   0.790384D+00  0.121415D+01
      3   0.121415D+01  0.143825D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.194499D+01 -0.288025D+00 -0.201913D+01 -0.724730D+01 -0.122483D+01
      2   0.223727D+01 -0.208404D+01  0.253473D+01 -0.621214D+01  0.155096D+01
      3  -0.692217D+01 -0.362245D+01  0.168524D+00  0.107318D+02 -0.110740D+01
                 6             7             8             9            10 
      1  -0.375389D+01 -0.514540D+01  0.225041D+01 -0.969447D+00 -0.857259D+00
      2  -0.130140D+01 -0.466169D+01 -0.157397D+01  0.467762D+00  0.485115D+01
      3   0.347834D+01 -0.341715D+01 -0.165006D+01  0.367385D+01  0.143179D+02
                11            12            13            14            15 
      1  -0.180808D+01  0.139019D+01 -0.544347D+01  0.443928D+01 -0.713432D+01
      2   0.129100D+01 -0.362052D+01  0.841092D+01  0.323133D+01 -0.251866D+01
      3   0.161852D+01  0.759183D+00  0.157068D+02  0.122850D+01  0.748016D+00
                16            17            18            19            20 
      1   0.771475D+01  0.102171D+01 -0.497384D+01 -0.141429D+01  0.104523D+01
      2  -0.229627D+02 -0.215027D+01  0.822060D+00  0.115177D+01 -0.232506D+01
      3  -0.485781D+01  0.122365D+01 -0.151478D+01  0.209650D+01 -0.100275D+01
                21            22            23            24            25 
      1  -0.144995D+01  0.438728D+01  0.134383D+01  0.408882D+00  0.317822D+01
      2   0.838914D+01  0.323929D+01 -0.323235D+01  0.335285D+01 -0.860325D+01
      3   0.335880D+01  0.128137D+02  0.342649D+01  0.625556D+00  0.274631D+01
                26            27            28            29            30 
      1   0.297572D+01  0.378466D+01  0.987787D+00 -0.206929D+01  0.474657D+01
      2   0.982764D-01 -0.270752D+00 -0.586431D+01  0.731831D+00 -0.372262D+01
      3  -0.480158D-01 -0.248528D+01 -0.129777D+02 -0.178654D+01 -0.295593D+01
                31            32            33            34            35 
      1  -0.151421D+01  0.509690D+01 -0.588039D+01  0.934952D+01  0.303120D+01
      2   0.775950D+01  0.295514D+01 -0.420998D+01 -0.232402D+02 -0.671471D+01
      3   0.144213D+02  0.101528D+01 -0.165921D+01 -0.114713D+02 -0.788527D+00
                36            37            38            39            40 
      1  -0.388249D+01  0.846589D+00 -0.107005D+01  0.337190D+00 -0.523511D+01
      2  -0.386593D+01  0.858733D+01 -0.914790D+00  0.334700D+01 -0.805562D+01
      3  -0.126191D+01  0.324289D+01 -0.172566D+01  0.280949D+01  0.921313D+01
                41            42            43            44            45 
      1  -0.264619D+01 -0.339527D+01 -0.411399D+01  0.883583D+00 -0.270384D+01
      2   0.147455D+01 -0.230526D+01  0.183239D+01 -0.147906D+00  0.433161D+00
      3  -0.592193D+00  0.267630D+01  0.963252D+01  0.106409D+01  0.505405D+01
                46            47            48            49            50 
      1  -0.562173D+00  0.265426D+01 -0.126624D+01  0.634380D+01  0.870785D+00
      2  -0.405275D+01 -0.381862D+01  0.837708D+01 -0.667442D+01 -0.387728D+01
      3  -0.125802D+02 -0.337670D+01  0.204710D+01  0.664033D+01  0.155859D+01
                51            52            53            54            55 
      1  -0.191496D+01  0.265526D+01  0.244435D+01  0.608683D+00 -0.196391D+01
      2   0.509105D+01 -0.481247D+01  0.663893D+00 -0.120133D+01  0.451861D+01
      3  -0.930888D+00  0.972124D+01  0.113532D+01 -0.189783D+01 -0.172909D+02
                56            57            58            59            60 
      1   0.580571D+00 -0.218636D+00  0.122442D+00 -0.656605D+01 -0.268031D+01
      2  -0.166642D+01  0.120846D+01 -0.385190D+01  0.597802D+01  0.321666D+01
      3   0.572738D+01  0.173977D+01  0.296629D+02  0.139645D+02 -0.112699D+01
                61            62            63            64            65 
      1   0.925436D+00  0.219604D+01  0.644708D+01  0.227298D+01 -0.512104D+00
      2  -0.207005D+02  0.283987D+01 -0.214777D+02 -0.102303D+02  0.218264D+01
      3   0.104936D+02 -0.610405D+01 -0.495000D+01  0.266866D+02 -0.127857D+02
                66            67            68            69            70 
      1   0.802036D+00  0.117119D+01 -0.616226D+00 -0.268396D+01 -0.122031D+01
      2   0.112439D+02  0.458696D+01 -0.479053D+01 -0.639638D+01  0.114999D+02
      3  -0.207640D+01 -0.141322D+02 -0.180583D+02  0.260996D+01 -0.100123D+02
                71            72            73            74            75 
      1   0.388732D+01  0.153071D+01 -0.915445D+00 -0.248343D+00  0.116977D+01
      2  -0.914436D+01  0.348651D+02  0.141347D+02 -0.382499D+01 -0.140473D+02
      3   0.570127D+01  0.914359D+01 -0.190392D+02  0.113087D+02  0.516651D+01
                76            77            78            79            80 
      1  -0.113669D+01 -0.183296D+01 -0.196368D+01  0.215658D+01  0.142105D+01
      2  -0.561762D+01  0.133942D+02  0.814021D+01 -0.299692D+02  0.682221D+01
      3   0.293395D+02  0.333527D+02 -0.126978D+02  0.712141D+01 -0.138743D+02
                81            82            83            84            85 
      1   0.202892D+01  0.500219D+01 -0.177535D+01 -0.406757D+01 -0.229870D+01
      2  -0.281153D+02  0.102632D+02 -0.429043D+01 -0.522643D+01 -0.477754D+01
      3  -0.989927D+01 -0.286622D+02 -0.438004D+01 -0.164306D+01  0.108774D+01
                86            87            88            89            90 
      1   0.524422D+01  0.332399D+01 -0.658433D+01  0.970749D+01 -0.914660D+01
      2   0.538051D+01  0.872841D+01 -0.132434D+02  0.120930D+02 -0.184170D+02
      3   0.130554D+02 -0.349201D+01 -0.155331D+01 -0.648966D+01 -0.879425D+01
                91            92            93            94            95 
      1  -0.145927D+01 -0.206394D+01  0.768156D+00 -0.442562D+01 -0.201741D+01
      2   0.112965D+02 -0.207672D+01  0.598715D+00 -0.105291D+02 -0.467755D+01
      3  -0.704591D+01  0.232803D+01  0.247372D+01  0.259705D+02  0.104150D+02
                96            97            98            99           100 
      1  -0.704971D+01  0.377189D+01  0.177525D+01  0.424776D+01  0.241652D+01
      2   0.912375D+01 -0.254332D+02  0.106439D+02 -0.448792D+01 -0.190016D+02
      3   0.853581D+01  0.102840D+02  0.434984D+01 -0.108839D+02  0.173063D+02
               101           102           103           104           105 
      1   0.730346D+01 -0.110967D+01  0.258572D+01  0.614717D+01  0.215254D+01
      2   0.683411D+01  0.432840D+01  0.124767D+02 -0.722128D-01 -0.114424D+02
      3  -0.479614D+01 -0.519753D+01 -0.128785D+01 -0.347659D+01 -0.279936D+01
               106           107           108           109           110 
      1  -0.324155D+01  0.100656D+00 -0.323280D+01 -0.213814D+01 -0.470077D+01
      2  -0.988295D+01 -0.959367D+01  0.191943D+02 -0.473502D+01 -0.332968D+01
      3  -0.113725D+01 -0.127748D+02  0.821154D+01 -0.990779D+01 -0.869053D+01
               111           112           113           114           115 
      1  -0.845967D+00 -0.109264D+01 -0.583473D+01 -0.286422D+01 -0.168084D+00
      2   0.849472D+01 -0.880600D+01 -0.832803D+01  0.117135D+02  0.133345D+02
      3   0.359566D+01 -0.124293D+01 -0.166838D+02  0.710070D+01 -0.454579D+01
               116           117           118           119           120 
      1   0.842642D+01  0.631737D+00  0.311877D+01 -0.149725D+01 -0.642939D+00
      2   0.103592D+02 -0.314044D+02  0.109485D+02 -0.770021D+01 -0.354031D+01
      3   0.155860D+02 -0.844896D+01 -0.207797D+01  0.349760D+01  0.442684D+01
               121           122           123           124           125 
      1   0.176685D+01  0.112924D+01 -0.626570D+01 -0.333232D+01  0.307559D+01
      2  -0.234806D+01  0.648294D+01  0.188307D+01 -0.717078D+01  0.349941D+01
      3   0.384264D+01  0.173953D+02 -0.586935D+01  0.902593D+01 -0.105441D+02
               126           127           128           129           130 
      1   0.608176D+01  0.231990D+00 -0.181846D+01 -0.905981D+00  0.988920D+00
      2   0.117811D+02  0.544565D+01  0.126404D+01 -0.597774D-01  0.157217D+01
      3  -0.622341D+00  0.451513D+01 -0.354933D+00 -0.970803D+00  0.398942D+01
               131           132           133           134           135 
      1  -0.303347D+00 -0.317687D+01 -0.574481D+00  0.181836D+01  0.174911D+01
      2   0.538084D+00  0.355012D+00 -0.283164D+01  0.118364D-01 -0.153436D+01
      3  -0.111455D+01 -0.587720D+00 -0.162285D+01  0.158517D+01  0.787585D-02
               136           137           138           139           140 
      1   0.144756D+01  0.101907D+01  0.216575D+01 -0.442941D+00 -0.773336D+00
      2  -0.343706D+01  0.302046D+00 -0.941228D+00  0.503986D+00  0.132815D+00
      3  -0.304773D+01 -0.298304D+00 -0.178091D+01  0.132024D+01  0.641098D+00
               141           142           143           144           145 
      1  -0.274065D+01  0.494307D+00  0.301348D+01  0.236758D+01 -0.128005D+01
      2  -0.106459D+01 -0.429786D+01  0.166133D+00  0.993234D+00  0.621683D+01
      3   0.551393D+00 -0.254786D+01 -0.685436D+00 -0.161481D+01  0.324751D+01
               146           147           148           149           150 
      1  -0.263674D+01 -0.309375D+00 -0.741610D+00 -0.126391D+01 -0.187488D+01
      2   0.157791D+01 -0.492629D+00  0.344429D+01  0.560632D+00  0.366753D+00
      3  -0.697281D+00 -0.536010D+00  0.264441D+01 -0.959678D+00  0.113044D-01
               151           152           153           154           155 
      1   0.265659D+00  0.264163D+01  0.200516D+00 -0.364332D+00  0.135080D+01
      2  -0.235415D+01 -0.347954D+00 -0.108224D+01 -0.387629D+01  0.616515D+00
      3  -0.786893D+00  0.214293D+01 -0.240788D+00 -0.121889D+01 -0.403536D+00
               156           157           158           159           160 
      1   0.572425D+00  0.653952D-01 -0.133568D+01 -0.803336D+00 -0.146529D+01
      2  -0.637687D+00  0.375808D+00  0.319269D+00 -0.139442D+01 -0.481863D+01
      3  -0.364408D+00  0.798920D+00  0.575787D+00 -0.245245D+00 -0.676768D+00
               161           162           163           164           165 
      1   0.433942D+01 -0.128032D+01  0.105372D+01  0.103508D+01 -0.854332D+00
      2   0.146521D+00  0.179759D+01 -0.368262D+01 -0.542396D+00  0.191778D+01
      3  -0.141599D+01  0.647003D-01 -0.154001D+01 -0.498536D+01 -0.841520D+00
               166           167           168           169           170 
      1   0.149711D+01  0.556662D+01 -0.295753D+01 -0.937982D+00 -0.101487D+01
      2  -0.143995D+01 -0.220355D+01  0.263522D+01  0.158108D+01  0.266876D+01
      3  -0.309522D+01 -0.233485D+02 -0.144184D+01 -0.272143D+01  0.316010D+01
               171           172           173           174           175 
      1   0.150318D+00 -0.154872D+01  0.539233D+00 -0.969024D+00 -0.141212D+00
      2   0.124312D+01  0.408709D+01  0.746867D+00  0.461630D+01  0.108409D+01
      3  -0.164960D+01  0.287632D+01 -0.264804D+01  0.741736D+00 -0.218667D+01
               176           177           178           179           180 
      1  -0.602581D+00  0.164746D+00 -0.181160D+01  0.298151D+01 -0.726522D+01
      2   0.154638D+01 -0.270334D+01  0.876868D+00  0.207827D+01  0.211556D+02
      3  -0.569066D+00 -0.232936D+01  0.208353D+01 -0.344754D+01  0.767428D+00
               181           182           183           184           185 
      1  -0.183412D+01  0.874895D+00 -0.138418D+00  0.406619D+00 -0.149614D+00
      2  -0.769935D+01  0.623257D+00 -0.359010D+01  0.238626D+01 -0.434005D+01
      3  -0.513558D+01  0.144398D+01 -0.184087D+00  0.411565D+01  0.136217D+00
               186           187           188           189           190 
      1  -0.483704D+00 -0.792624D+00  0.332478D+01 -0.113576D+01  0.108237D+00
      2   0.420820D+01 -0.732493D+01  0.410089D+01 -0.313672D+02 -0.286353D+01
      3   0.395531D+01 -0.551186D+00  0.506803D+01 -0.376575D+01 -0.700200D+01
               191           192           193           194           195 
      1   0.588416D-01 -0.603083D+00  0.308227D+00  0.343903D+00 -0.325124D+01
      2  -0.807400D+00  0.303651D+01 -0.165429D+01 -0.693504D+01  0.698819D+01
      3  -0.773598D+01  0.570677D+00 -0.135593D+02 -0.444096D+02  0.628012D+01
               196           197           198           199           200 
      1  -0.576460D+00  0.362223D+00  0.440967D+00 -0.697741D+00  0.425180D+00
      2   0.464979D+01  0.550109D+01 -0.136657D+01  0.772956D+01  0.168655D+00
      3   0.164102D+01  0.847692D+01 -0.462468D+01  0.272734D+01 -0.319207D+01
               201           202           203           204           205 
      1  -0.865365D+00  0.131600D+00 -0.464362D+00 -0.448610D+00 -0.112133D+01
      2   0.954570D+01 -0.861202D+00  0.338370D+01 -0.416855D+01  0.149967D+02
      3   0.567693D+00 -0.409806D+01 -0.878858D+00 -0.338917D+01  0.357979D+00
               206           207           208           209           210 
      1   0.299677D+01 -0.276549D+01  0.888670D+00 -0.959977D+00 -0.999422D-02
      2  -0.135438D+01  0.378085D+02 -0.133852D+02  0.424117D+01  0.121858D+02
      3  -0.681012D+01  0.325602D+01  0.144736D+02 -0.115978D+02 -0.550409D+01
               211           212           213           214           215 
      1  -0.358505D+00  0.102943D+01 -0.591525D+00 -0.522114D+00  0.185710D+01
      2   0.663058D+01 -0.672412D+01 -0.857052D+01  0.144697D+02 -0.594280D+01
      3  -0.137544D+02  0.997135D+01  0.728470D+01 -0.737507D+01  0.983108D+01
               216           217           218           219           220 
      1   0.164854D+00 -0.374318D+01  0.173949D+01  0.438752D+01  0.291658D+01
      2  -0.104770D+02 -0.658129D+01  0.458485D+01  0.708903D+01  0.415657D+01
      3   0.705685D+01  0.518120D+01 -0.978760D+01 -0.140325D+01 -0.390378D+01
               221           222           223           224           225 
      1  -0.309407D+01 -0.441893D+01  0.426477D+01 -0.241374D+01 -0.387305D+01
      2  -0.675375D+01 -0.645157D+01  0.622858D+01 -0.806403D+01 -0.707816D+01
      3   0.116268D+02  0.450284D+01 -0.130860D+01  0.913541D+01  0.506649D+01
               226           227           228           229           230 
      1   0.165522D+01 -0.905224D-01  0.217445D+01 -0.516833D+00  0.165818D+01
      2   0.306788D+01 -0.998012D+00  0.438186D+01 -0.476302D+00  0.368969D+01
      3   0.372067D+01 -0.250502D+01 -0.122144D-01  0.193247D+00  0.335229D+01
               231           232           233           234           235 
      1  -0.373432D+01  0.272982D+01 -0.124963D+01  0.131499D+02 -0.107987D+01
      2  -0.415880D+01  0.182045D+01 -0.855907D+01  0.232894D+02 -0.417173D+01
      3  -0.356001D+01 -0.110080D+01 -0.937414D+01  0.758805D+01  0.267184D+02
               236           237           238           239           240 
      1  -0.370727D+00 -0.235494D+01  0.957894D-01 -0.949061D+00 -0.183586D+01
      2  -0.865395D+00 -0.122373D+01 -0.485471D+00 -0.172173D+01 -0.119712D+01
      3   0.100412D+02  0.351753D+01  0.103740D+02  0.655121D+01  0.229283D+01
               241           242           243           244           245 
      1  -0.206276D+01 -0.917961D-01 -0.832851D-01 -0.182286D+01  0.835862D+00
      2  -0.417814D+01 -0.259954D+01 -0.290171D+00  0.463234D+01  0.417088D+00
      3   0.317094D+01  0.344378D+01  0.421641D+01  0.395194D+01 -0.239551D+01
               246           247           248           249           250 
      1  -0.752818D+00  0.579290D+00 -0.280862D+01  0.767522D+00 -0.116777D+01
      2   0.338366D+01  0.142112D+01  0.416404D+01 -0.584257D+01  0.189814D+01
      3   0.116249D+01 -0.380837D+00  0.455646D+01 -0.490003D+01  0.118666D+00
               251           252           253           254           255 
      1   0.453841D+01 -0.262485D+01  0.347469D+01  0.130081D+01 -0.482078D+01
      2  -0.515865D+01  0.143369D+02 -0.595846D+01  0.469914D+01  0.126176D+02
      3  -0.615477D+01  0.580541D+01 -0.304149D+01 -0.142138D+02 -0.967715D+01
               256           257           258           259           260 
      1   0.313097D+01 -0.432520D+00  0.716693D+01 -0.256066D+01  0.126455D+02
      2   0.311480D+01  0.467263D+01 -0.901841D+01  0.904564D+01 -0.117405D+02
      3  -0.154324D+02 -0.929993D+01 -0.739107D+01 -0.860364D+01 -0.452368D+01
               261           262           263           264           265 
      1  -0.391257D+01 -0.246608D+01  0.905842D+00  0.293309D+01  0.217969D+01
      2  -0.126433D+01 -0.640920D+01  0.549288D+01  0.681234D+01  0.394396D+01
      3   0.145077D+02  0.613827D+01 -0.842993D+01 -0.274552D+01 -0.479713D+01
               266           267           268           269           270 
      1  -0.187318D+01 -0.258119D+01  0.341579D+01 -0.148532D+01 -0.466002D+01
      2  -0.522665D+01 -0.568185D+01  0.104065D+02 -0.103365D+02 -0.135807D+02
      3   0.102669D+02  0.340128D+01 -0.754794D+01  0.118407D+02  0.747863D+01
               271           272           273           274           275 
      1  -0.246914D+01 -0.104302D+01  0.383391D+01 -0.530139D+00 -0.582504D+00
      2   0.864033D+01 -0.524157D+01 -0.801633D+01 -0.233984D+01  0.509782D+01
      3  -0.876337D+01  0.749283D+01  0.774781D+01  0.550444D+01 -0.661937D+01
               276           277           278           279           280 
      1  -0.297902D+01  0.261454D+01 -0.628371D+00 -0.579491D+01  0.247699D+01
      2   0.507910D+01 -0.795814D+01  0.832491D+01  0.135390D+02 -0.203741D+01
      3  -0.528410D+01  0.636286D+01 -0.773063D+01 -0.112993D+02 -0.332347D+01
               281           282           283           284           285 
      1  -0.629486D+00  0.196229D+01 -0.298447D-02  0.673279D+01 -0.712576D+01
      2  -0.309997D+00 -0.138881D+01 -0.882169D+00 -0.519853D+01  0.537249D+01
      3   0.267464D+01 -0.139785D+01  0.278666D+01 -0.949363D+01  0.543143D+01
               286           287           288           289           290 
      1   0.149836D+01 -0.515690D+01  0.111363D+02 -0.131031D+01  0.191351D+01
      2  -0.283990D+01  0.563033D+01 -0.927391D+01 -0.212962D+01  0.208453D+00
      3  -0.301046D+01  0.101147D+02 -0.695981D+01  0.730549D+01 -0.575982D+01
               291           292           293           294           295 
      1  -0.303913D+01  0.757544D+00  0.582116D+00 -0.194020D+01 -0.256540D+01
      2   0.494413D+01 -0.954078D-01 -0.471307D+00  0.217129D+01  0.222814D+01
      3   0.125083D+01 -0.871339D+00 -0.140906D+01 -0.908967D-01  0.208843D+01
               296           297 
      1  -0.636767D+00 -0.123005D+01
      2   0.271041D+01  0.313743D+01
      3  -0.144321D+01 -0.985266D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.587537D+01 -0.100796D+02  0.183088D+02  0.148508D+02 -0.138388D+02
      2  -0.362183D+01  0.240479D+01 -0.202054D+01 -0.877339D+00  0.211208D+02
      3   0.949720D+01  0.767481D+01 -0.162883D+02 -0.139735D+02 -0.728201D+01
      4  -0.957641D+01 -0.551233D+01  0.867240D+01  0.110593D+01  0.966161D+00
      5   0.753225D+01  0.674663D+01  0.254968D+01  0.923633D+01  0.287813D+01
      6   0.623703D+01 -0.193441D+01  0.334966D+01  0.669810D+01  0.312421D+00
                 6             7             8             9            10 
      1   0.326018D+01 -0.359066D+02 -0.142738D+02  0.689065D+01  0.610868D+02
      2  -0.504446D+01  0.124380D+02  0.839355D+01 -0.869987D+01 -0.236607D+02
      3   0.178428D+01  0.234685D+02  0.588023D+01  0.180922D+01 -0.374261D+02
      4   0.354863D+01 -0.385548D+01  0.161329D+01 -0.554465D+01  0.230670D+01
      5  -0.728303D+01  0.562782D+01 -0.673120D+01  0.328022D+01  0.432879D+01
      6   0.226029D+00 -0.109257D+02 -0.729951D+01  0.740017D+01  0.200111D+01
                11            12            13            14            15 
      1   0.125204D+01  0.543242D+01 -0.448035D+01 -0.534227D+01  0.839677D+01
      2   0.142785D+01 -0.552507D+01  0.403759D+01  0.666863D+01 -0.338514D+01
      3  -0.267989D+01  0.926462D-01  0.442763D+00 -0.132636D+01 -0.501162D+01
      4   0.313813D+01 -0.477304D+01  0.900710D+01  0.315736D+01  0.105175D+01
      5  -0.470379D+01  0.458725D+01  0.123480D+02  0.308727D+00  0.189546D+01
      6  -0.176702D+01  0.255974D+01  0.487093D+01  0.337387D+01  0.105845D+02
                16            17            18            19            20 
      1   0.720595D+01  0.112309D+02 -0.141579D+02  0.115314D+02  0.166415D+02
      2   0.319241D+01  0.329534D+01  0.303450D+01  0.269734D+01 -0.122201D+02
      3  -0.103984D+02 -0.145263D+02  0.111234D+02 -0.142288D+02 -0.442131D+01
      4   0.191906D+02  0.101084D+01 -0.657499D+00  0.270766D+01  0.268830D+01
      5  -0.698717D+01 -0.101061D+00  0.308076D+01 -0.128778D+02  0.223297D+01
      6   0.455977D+01  0.642731D+01 -0.408558D+01 -0.294090D+01  0.395770D+01
                21            22            23            24            25 
      1  -0.154167D+02 -0.147590D+02 -0.308624D+01 -0.155190D+02  0.164185D+02
      2   0.116125D+02  0.431015D+01  0.100242D+02 -0.624826D+01 -0.487944D+01
      3   0.380423D+01  0.104488D+02 -0.693801D+01  0.217673D+02 -0.115390D+02
      4   0.602386D+00  0.123073D+02 -0.656394D+01 -0.957044D+00  0.292666D+01
      5  -0.109494D+02 -0.482623D+00 -0.933808D+00 -0.412267D+00  0.761994D+01
      6  -0.618143D+01 -0.473616D+01 -0.258531D+01  0.454272D+00  0.135996D+02
                26            27            28            29            30 
      1  -0.703976D+01  0.222619D+01  0.160913D+02  0.405536D+01  0.278056D+00
      2  -0.101303D+01 -0.218756D+01 -0.435416D+01 -0.180499D+01 -0.288244D+01
      3   0.805279D+01 -0.386283D-01 -0.117372D+02 -0.225037D+01  0.260438D+01
      4  -0.227180D+01  0.914313D+01  0.401648D+01  0.543921D+01 -0.200073D+01
      5   0.855206D+01 -0.613854D+01  0.681288D+01 -0.148979D+01  0.660440D+01
      6   0.122295D+01  0.126269D+02  0.908039D+01  0.377752D+01 -0.705256D+00
                31            32            33            34            35 
      1  -0.975463D+01 -0.680086D+01  0.986546D+01  0.104681D+01  0.126575D+02
      2  -0.145700D+01  0.322436D+01 -0.393519D+01  0.514331D+01  0.231294D+01
      3   0.112116D+02  0.357650D+01 -0.593027D+01 -0.619012D+01 -0.149704D+02
      4   0.103094D+02  0.348024D+01  0.344055D+01  0.212827D+02  0.307292D+01
      5   0.176066D+02  0.460032D+01  0.177774D+01 -0.414227D+01 -0.336568D+01
      6   0.469208D+01  0.493744D+01  0.986802D+01  0.248596D+01  0.657447D+01
                36            37            38            39            40 
      1  -0.154376D+02  0.295796D+01 -0.824756D+01  0.206292D+02  0.118138D+02
      2   0.318907D+01 -0.826599D+01  0.176378D+01 -0.429017D+01  0.959411D+00
      3   0.122485D+02  0.530803D+01  0.648378D+01 -0.163390D+02 -0.127733D+02
      4  -0.363938D+01 -0.116623D+02 -0.560727D+01  0.580874D+01  0.456448D+01
      5  -0.145614D+01  0.892833D+01  0.371520D+01  0.332772D+01  0.475412D+01
      6  -0.537720D+01  0.345213D+01 -0.309338D+01 -0.152685D+01  0.352803D+01
                41            42            43            44            45 
      1  -0.601610D+01 -0.829901D-01 -0.238242D+02 -0.119019D+02  0.977080D+01
      2   0.121092D+02 -0.175271D+01  0.465490D+01  0.366021D+01 -0.769405D+01
      3  -0.609306D+01  0.183570D+01  0.191693D+02  0.824170D+01 -0.207676D+01
      4   0.950943D+00  0.913241D+00 -0.732181D+01 -0.408423D+01 -0.612846D+01
      5   0.231954D+01 -0.876075D+01  0.818791D+01 -0.566039D+01  0.128554D+01
      6   0.256108D+01  0.165114D+01 -0.138491D+02 -0.528444D+01  0.683299D+01
                46            47            48            49            50 
      1  -0.567152D+01  0.108209D+02 -0.140960D+02 -0.230877D+02  0.223122D+01
      2   0.101841D+02 -0.609281D+01  0.910342D+01  0.809978D+01  0.371832D+01
      3  -0.451255D+01 -0.472813D+01  0.499263D+01  0.149879D+02 -0.594954D+01
      4   0.685955D+01  0.677708D+01 -0.503039D+00  0.127450D+02 -0.455585D+01
      5  -0.130009D+02  0.148512D+01 -0.868811D+01 -0.751563D+01 -0.524258D+00
      6   0.122105D+01  0.290422D+01 -0.493513D+01 -0.278211D+01  0.232259D+01
                51            52            53            54            55 
      1  -0.221151D+02  0.247939D+02 -0.601146D+01  0.116220D+01 -0.629695D+02
      2   0.661271D-01 -0.665687D+01 -0.971284D+00  0.808508D+00  0.231788D+02
      3   0.220490D+02 -0.181370D+02  0.698275D+01 -0.197071D+01  0.397908D+02
      4  -0.139066D-01  0.293182D+01 -0.137287D+01  0.552976D+01  0.767456D+01
      5   0.102195D+01  0.507339D+01  0.529130D+01 -0.591336D+01  0.466191D+01
      6   0.402426D+01  0.896361D+01  0.238474D+01  0.151917D+02  0.253032D-01
                56            57            58            59            60 
      1   0.112640D+02  0.406539D+01  0.454511D+02 -0.109558D+02 -0.585414D+01
      2  -0.817948D+01 -0.310876D-01 -0.336401D+02 -0.122834D+02  0.127377D+01
      3  -0.308451D+01 -0.403430D+01 -0.118110D+02  0.232393D+02  0.458037D+01
      4  -0.168876D+02 -0.254108D+01 -0.362476D+02 -0.430362D+02  0.155789D+01
      5  -0.246392D+01 -0.731561D+01 -0.662623D+01  0.299057D+01  0.536374D+01
      6  -0.184252D+01 -0.108789D+01 -0.401869D+01 -0.186800D+01  0.128273D+01
                61            62            63            64            65 
      1   0.428767D+02 -0.838055D+01 -0.137461D+01 -0.172641D+02 -0.351418D+02
      2  -0.127719D+02  0.566579D+01  0.133300D+02  0.149935D+02  0.147559D+02
      3  -0.301048D+02  0.271475D+01 -0.119554D+02  0.227061D+01  0.203859D+02
      4  -0.768084D+01  0.116521D+02  0.218755D+01 -0.384591D+02  0.163460D+02
      5  -0.201326D+02  0.237576D+01 -0.400500D+02 -0.132829D+02  0.377138D+01
      6  -0.203550D+01  0.219232D+00 -0.591056D+01  0.239104D+01  0.168975D+01
                66            67            68            69            70 
      1  -0.986608D+01 -0.796097D+02  0.286065D+02  0.791050D-01 -0.470845D+02
      2   0.715877D+01  0.407561D+02 -0.157433D+02 -0.118453D+00  0.196767D+02
      3   0.270731D+01  0.388535D+02 -0.128632D+02  0.393482D-01  0.274078D+02
      4   0.356217D+01  0.281513D+02  0.380837D+02 -0.532602D+01  0.590130D+01
      5   0.164164D+02  0.630785D+01 -0.660278D+01 -0.132437D+02  0.326815D+02
      6  -0.219174D+00 -0.149449D+01  0.277573D+01 -0.373827D+00 -0.153033D+01
                71            72            73            74            75 
      1   0.208173D+01  0.279008D+02  0.275874D+02  0.424799D+02  0.257789D+02
      2  -0.152194D+01 -0.669455D+01 -0.125096D+02 -0.241297D+02 -0.118635D+02
      3  -0.559793D+00 -0.212062D+02 -0.150778D+02 -0.183502D+02 -0.139155D+02
      4  -0.106134D+02 -0.143899D+02  0.435490D+02 -0.203110D+02 -0.763819D+01
      5  -0.138700D+02  0.605899D+02  0.289908D+02 -0.850688D+01 -0.309775D+02
      6   0.484257D+01  0.429764D+00 -0.222985D+00  0.139769D+01  0.414581D-01
                76            77            78            79            80 
      1   0.620025D+02 -0.306298D+02 -0.125617D+02  0.440702D+02 -0.109711D+02
      2  -0.368347D+02  0.635444D+01  0.800447D+01 -0.186102D+02  0.751535D+01
      3  -0.251678D+02  0.242754D+02  0.455726D+01 -0.254600D+02  0.345574D+01
      4  -0.391521D+02 -0.623272D+02  0.237592D+02 -0.100593D+02  0.246175D+02
      5  -0.124518D+02  0.263071D+02  0.176471D+02 -0.518602D+02  0.146240D+02
      6   0.384808D+01  0.379626D+01 -0.788094D+00  0.342557D+00 -0.140224D+01
                81            82            83            84            85 
      1  -0.415569D+02  0.383067D+02  0.296262D+02  0.201680D+02  0.348808D+02
      2   0.276302D+02 -0.303329D+02 -0.928230D+01 -0.790193D+01 -0.129107D+02
      3   0.139267D+02 -0.797388D+01 -0.203439D+02 -0.122661D+02 -0.219701D+02
      4   0.147519D+02  0.272119D+02 -0.268316D+02 -0.139506D+02 -0.309801D+02
      5  -0.538363D+02  0.202283D+02 -0.100432D+02 -0.149400D+02 -0.962866D+01
      6  -0.283469D+01 -0.131308D+02  0.330997D+01  0.816051D+01  0.542971D+01
                86            87            88            89            90 
      1  -0.274618D+02 -0.343782D+01  0.285764D+02 -0.720849D+01 -0.971870D+01
      2   0.206312D+02 -0.395201D+01 -0.837455D+01 -0.304942D+01  0.354706D+01
      3   0.683063D+01  0.738983D+01 -0.202018D+02  0.102579D+02  0.617163D+01
      4  -0.123844D+02  0.126581D+02 -0.159540D+02  0.215711D+02  0.302265D+02
      5   0.123014D+02  0.186865D+02 -0.245497D+02  0.259653D+02 -0.365775D+02
      6  -0.972073D+01 -0.862460D+01  0.117085D+02 -0.131683D+02  0.168031D+02
                91            92            93            94            95 
      1   0.218072D+01  0.164808D+02  0.907727D+01  0.218387D+02 -0.231244D+01
      2  -0.191546D+01 -0.121593D+02 -0.167376D+01 -0.213302D+02 -0.371043D+01
      3  -0.265262D+00 -0.432154D+01 -0.740351D+01 -0.508520D+00  0.602287D+01
      4   0.133379D+02 -0.991652D+01 -0.316263D+01 -0.343687D+02 -0.212087D+02
      5   0.638118D+01 -0.327353D+01 -0.725241D+01 -0.193087D+02 -0.166638D+02
      6  -0.661466D+00 -0.456221D+01 -0.169947D+01 -0.115814D+02 -0.963245D+01
                96            97            98            99           100 
      1  -0.773362D+01  0.265531D+02 -0.100339D+02 -0.962561D+01 -0.107481D+02
      2  -0.618890D+01 -0.104420D+02 -0.452402D+01  0.133124D+02  0.600515D+01
      3   0.139225D+02 -0.161112D+02  0.145580D+02 -0.368680D+01  0.474300D+01
      4  -0.158652D+02 -0.178035D+02 -0.540528D+01  0.204267D+02 -0.110336D+02
      5   0.145546D+02 -0.220284D+02  0.207094D+02 -0.157964D+02  0.142555D+02
      6  -0.859196D+01  0.239127D+01 -0.185361D+01  0.587324D+01  0.270012D+01
               101           102           103           104           105 
      1  -0.122354D+02  0.300800D+01 -0.245613D+02  0.384288D+01  0.228728D+02
      2   0.114523D+02 -0.715060D+01  0.236686D+02 -0.116944D+02 -0.201403D+02
      3   0.783048D+00  0.414260D+01  0.892691D+00  0.785156D+01 -0.273248D+01
      4  -0.543168D+01  0.125634D+02 -0.374091D+01  0.656018D+01 -0.432799D+01
      5   0.131989D+02 -0.252461D+01  0.387928D+02 -0.415489D+01 -0.288484D+02
      6   0.352671D+01 -0.153797D+01 -0.303695D+01  0.541424D+01 -0.686243D+00
               106           107           108           109           110 
      1   0.290311D+02  0.162329D+02 -0.210563D+01  0.516506D+02  0.167611D+02
      2  -0.189066D+02 -0.950462D+01  0.100265D+02 -0.319971D+02 -0.100688D+02
      3  -0.101245D+02 -0.672828D+01 -0.792090D+01 -0.196534D+02 -0.669235D+01
      4   0.214041D+02  0.137079D+02 -0.230031D+02  0.203613D+02  0.199499D+02
      5  -0.122756D+02 -0.225756D+02  0.287108D+02 -0.364200D+02 -0.113202D+02
      6  -0.424775D+01 -0.412618D+01  0.423654D+01 -0.455283D+01 -0.421662D+01
               111           112           113           114           115 
      1  -0.244911D+02  0.364364D+02  0.656125D+01 -0.110148D+02 -0.490435D+02
      2   0.178879D+02 -0.206784D+02 -0.231211D+01  0.117404D+02  0.320821D+02
      3   0.660320D+01 -0.157580D+02 -0.424914D+01 -0.725574D+00  0.169615D+02
      4  -0.870179D+01  0.209600D+02  0.348643D+02 -0.155260D+02 -0.104415D+02
      5   0.236855D+02 -0.244519D+02 -0.161634D+02  0.258938D+02  0.460600D+02
      6   0.367905D+01 -0.449351D+01 -0.878735D+01  0.108391D+02  0.113156D+01
               116           117           118           119           120 
      1  -0.438196D+01  0.109536D+02  0.218442D+01 -0.443341D+01  0.160940D+02
      2   0.773993D+01 -0.298469D+02  0.109690D+01  0.144323D+01 -0.655180D+01
      3  -0.335797D+01  0.188933D+02 -0.328132D+01  0.299018D+01 -0.954218D+01
      4  -0.284463D+02  0.210312D+02  0.282613D+01 -0.577069D+01 -0.193770D+02
      5   0.208100D+02 -0.638424D+02  0.218885D+02 -0.158335D+02 -0.903211D+01
      6   0.123159D+02 -0.886575D+01 -0.905492D+01  0.759430D+01  0.477741D+01
               121           122           123           124           125 
      1  -0.112658D+02 -0.153040D+02 -0.148364D+02  0.308943D+02 -0.215909D+02
      2  -0.159618D+01  0.315666D+02  0.715552D+01 -0.105827D+02  0.512739D+01
      3   0.128620D+02 -0.162627D+02  0.768086D+01 -0.203117D+02  0.164635D+02
      4   0.129064D+02 -0.354948D+02  0.173335D+02 -0.367280D+02  0.341657D+02
      5  -0.194029D+02  0.191486D+02  0.618717D+01 -0.129885D+02  0.845057D+01
      6   0.670556D+01 -0.328028D+01  0.358097D+01  0.819749D+01  0.858639D+00
               126           127           128           129           130 
      1  -0.128075D+02  0.180609D+01 -0.361980D+01  0.190161D+01 -0.301666D+00
      2   0.563499D+01  0.545549D+00  0.499619D+01 -0.725350D+00  0.997357D+00
      3   0.717248D+01 -0.235164D+01 -0.137639D+01 -0.117626D+01 -0.695691D+00
      4   0.107858D+02  0.108880D+02  0.953457D+01 -0.714385D+01  0.858011D+01
      5   0.258208D+02 -0.128014D+02 -0.811951D+01  0.104466D+02 -0.105564D+02
      6  -0.103703D+02 -0.869020D+01 -0.764751D+01  0.777462D+01 -0.832672D+01
               131           132           133           134           135 
      1  -0.863087D+01  0.802324D+01  0.516417D+01  0.109348D+02 -0.131023D+02
      2   0.798655D+01 -0.320237D+01 -0.126341D+01 -0.675972D+01  0.205535D+01
      3   0.644317D+00 -0.482087D+01 -0.390076D+01 -0.417505D+01  0.110469D+02
      4   0.104111D+02 -0.739796D+01 -0.777597D+01 -0.776538D+01  0.833250D+01
      5  -0.895228D+01  0.102984D+02  0.110223D+02  0.947598D+01 -0.147254D+02
      6  -0.121640D+02  0.118041D+02  0.936309D+01  0.139285D+02 -0.159526D+02
               136           137           138           139           140 
      1  -0.309290D+01  0.200625D+01 -0.585763D+01  0.363474D+01 -0.790596D+01
      2  -0.326520D+01  0.333450D+00 -0.392436D+01  0.180126D+00  0.218825D+01
      3   0.635810D+01 -0.233970D+01  0.978199D+01 -0.381486D+01  0.571771D+01
      4  -0.487615D+01  0.397733D+01 -0.553165D+01  0.326778D+01 -0.364844D+01
      5   0.905780D+01 -0.392463D+01  0.113344D+02 -0.382500D+01  0.331365D+01
      6  -0.497791D+01  0.342547D+01 -0.532650D+01  0.380302D+01 -0.834724D+01
               141           142           143           144           145 
      1   0.129223D+02 -0.785499D+01  0.125135D+02 -0.282589D+02  0.377705D+01
      2   0.553228D+00 -0.209901D+01 -0.205384D+01 -0.621402D+01 -0.214854D+01
      3  -0.134755D+02  0.995400D+01 -0.104596D+02  0.344730D+02 -0.162851D+01
      4   0.437325D+01 -0.603087D+01  0.648234D+01 -0.976235D+01  0.510890D+01
      5  -0.476959D+01  0.104044D+02 -0.595785D+01  0.159603D+02 -0.955836D+01
      6   0.115456D+02 -0.791304D+01  0.131348D+02 -0.212611D+02 -0.363282D+01
               146           147           148           149           150 
      1  -0.159948D+01  0.114656D+01 -0.231565D+01 -0.547642D+01  0.608673D+01
      2   0.179092D+01  0.100032D+01  0.450471D+00  0.354050D+01 -0.610770D+00
      3  -0.191438D+00 -0.214688D+01  0.186518D+01  0.193592D+01 -0.547596D+01
      4   0.503184D+01 -0.299896D+01  0.487025D+01  0.556544D+01 -0.337180D+01
      5  -0.412217D+01  0.746856D+01 -0.669168D+01 -0.577345D+01  0.773987D+01
      6  -0.321005D+01  0.376449D+01 -0.419150D+01 -0.673076D+01  0.684092D+01
               151           152           153           154           155 
      1   0.313426D+01  0.699765D+01 -0.104356D+02 -0.113645D+01  0.293793D+00
      2   0.958168D+00 -0.296395D+01 -0.121638D+01 -0.420291D+01  0.123878D+01
      3  -0.409243D+01 -0.403370D+01  0.116520D+02  0.533936D+01 -0.153258D+01
      4  -0.405552D+01 -0.423739D+01  0.403833D+01 -0.353875D+01  0.283690D+01
      5   0.930719D+01  0.582170D+01 -0.116415D+02  0.761835D+01 -0.301526D+01
      6   0.545431D+01  0.802867D+01 -0.954498D+01 -0.203477D+01  0.198930D+01
               156           157           158           159           160 
      1  -0.378389D+01  0.321204D+01 -0.579830D+01  0.105164D+02 -0.289730D+01
      2  -0.488453D+01  0.774011D-01  0.618559D+00  0.204443D+01 -0.529068D+01
      3   0.866842D+01 -0.328945D+01  0.517974D+01 -0.125609D+02  0.818797D+01
      4  -0.339509D+01  0.246212D+01 -0.254925D+01  0.354120D+01 -0.479838D+01
      5   0.103018D+02 -0.288548D+01  0.314411D+01 -0.402769D+01  0.102912D+02
      6  -0.157422D+01  0.265409D+01 -0.516973D+01  0.669612D+01 -0.388415D+01
               161           162           163           164           165 
      1   0.736367D+01 -0.231607D+02  0.162199D+02  0.707786D+01 -0.198171D+01
      2   0.689606D+00 -0.102076D+02 -0.168702D+01  0.326336D+00  0.721750D+00
      3  -0.805328D+01  0.333684D+02 -0.145328D+02 -0.740420D+01  0.125996D+01
      4   0.498928D+01 -0.714214D+01  0.150288D+02  0.183518D+02  0.187948D+01
      5  -0.468366D+01  0.160005D+02 -0.151714D+01  0.231917D+01  0.348918D+01
      6   0.798977D+01 -0.113956D+02  0.974438D+00  0.159963D+01  0.801302D+00
               166           167           168           169           170 
      1   0.130273D+02 -0.107315D+02 -0.180913D+00 -0.167637D+02  0.397715D+00
      2   0.437379D+01  0.331159D+02  0.511445D+00  0.522546D+01 -0.322062D+01
      3  -0.174011D+02 -0.223844D+02 -0.330532D+00  0.115382D+02  0.282290D+01
      4   0.303354D+02  0.574038D+02  0.321846D+01 -0.358814D+01 -0.753188D+01
      5   0.363392D+01  0.194355D+01  0.526574D+01  0.531972D+01  0.597953D+01
      6   0.332489D+01  0.711149D+01  0.527185D+01  0.197924D+01  0.556965D+01
               171           172           173           174           175 
      1  -0.163685D+01  0.722294D+01 -0.227050D+01  0.582924D+01 -0.115246D+02
      2   0.132503D+01 -0.795511D+01  0.135822D+01 -0.553552D+01  0.686221D+01
      3   0.311816D+00  0.732175D+00  0.912276D+00 -0.293720D+00  0.466243D+01
      4   0.605377D+01 -0.124884D+01  0.462705D+01  0.240648D+01  0.487794D+01
      5   0.175675D+01  0.110515D+02  0.165215D+01  0.137500D+02 -0.215062D+01
      6   0.176492D+00  0.100185D+01  0.119791D+01  0.158864D+01  0.106172D+01
               176           177           178           179           180 
      1  -0.584738D+00 -0.620539D+00  0.112191D+02 -0.235404D+01 -0.120084D+02
      2   0.492898D+00  0.235248D+01 -0.120645D+02  0.619704D+00 -0.153180D+02
      3   0.918396D-01 -0.173194D+01  0.845359D+00  0.173434D+01  0.273264D+02
      4   0.254984D+01  0.475286D+01  0.320833D+01  0.668068D+01  0.501486D+01
      5   0.488735D+01 -0.546521D+01  0.189757D+02  0.487964D+01  0.454215D+02
      6   0.582038D+00  0.411956D+01  0.364356D+01  0.552160D+01  0.108885D+02
               181           182           183           184           185 
      1  -0.428601D+01  0.700636D+01 -0.950110D+01  0.145119D+02 -0.795180D+01
      2  -0.130428D+01 -0.296656D+01  0.308792D+01 -0.717209D+01  0.340407D+01
      3   0.559029D+01 -0.403981D+01  0.641319D+01 -0.733977D+01  0.454773D+01
      4   0.750432D+01 -0.184965D+01 -0.798079D+00 -0.404705D+00 -0.816152D+00
      5  -0.713780D+01 -0.797747D+00 -0.101511D+01  0.730137D+00 -0.693258D+01
      6  -0.280253D+00  0.115281D-01 -0.346109D-01  0.401127D+00 -0.191784D+01
               186           187           188           189           190 
      1   0.174129D+01 -0.179578D+02  0.535032D-01 -0.207201D+02  0.123315D+02
      2   0.288381D+00  0.866422D+01  0.245252D+01 -0.894726D+01 -0.331554D+01
      3  -0.202968D+01  0.929360D+01 -0.250602D+01  0.296674D+02 -0.901593D+01
      4  -0.664169D+01 -0.930627D+00 -0.927572D+01  0.695632D+01  0.160264D+02
      5   0.700690D+01  0.114978D+01  0.682209D+01 -0.561911D+02 -0.613873D+01
      6   0.667126D+01 -0.170042D+00  0.345469D+01 -0.165158D+01 -0.125989D+01
               191           192           193           194           195 
      1   0.145883D+02 -0.580674D+01  0.339766D+02  0.214422D+02 -0.110600D+01
      2  -0.500555D+01  0.258449D+01 -0.113793D+02  0.685834D+01 -0.999735D+00
      3  -0.958271D+01  0.322225D+01 -0.225973D+02 -0.283006D+02  0.210573D+01
      4   0.198263D+02 -0.233755D+01  0.436163D+02  0.895098D+02 -0.127492D+02
      5  -0.238680D+01  0.624026D+01 -0.507198D+01 -0.142926D+02  0.131802D+02
      6  -0.599871D+00  0.520382D+00 -0.236485D+01 -0.482641D+01  0.565637D+01
               196           197           198           199           200 
      1  -0.124317D+02 -0.170941D+01  0.788406D+01  0.216019D+02 -0.424995D+01
      2   0.571554D+01 -0.689195D+00 -0.404217D+01 -0.141265D+02  0.268511D+01
      3   0.671615D+01  0.239860D+01 -0.384190D+01 -0.747546D+01  0.156484D+01
      4  -0.600576D+01 -0.162819D+02  0.106848D+02 -0.386622D+01  0.560291D+01
      5   0.141121D+02  0.115367D+02 -0.307546D+01  0.175738D+02  0.174363D+00
      6   0.246179D+01  0.624799D+01 -0.260135D+01  0.486052D+00  0.589472D-01
               201           202           203           204           205 
      1   0.159410D+02 -0.129717D+02  0.676627D+01 -0.131021D+01  0.408376D+02
      2  -0.100490D+02  0.770725D+01 -0.300355D+01  0.142655D+01 -0.261486D+02
      3  -0.589203D+01  0.526444D+01 -0.376272D+01 -0.116337D+00 -0.146889D+02
      4   0.366234D+00  0.119213D+02  0.292195D+01  0.755691D+01  0.275379D+01
      5   0.219290D+02 -0.306315D+01  0.709865D+01 -0.817002D+01  0.435409D+02
      6   0.907350D+00  0.166868D+01 -0.947604D+00  0.398963D+01  0.110190D+01
               206           207           208           209           210 
      1   0.282433D+01  0.258079D+02  0.942854D+02 -0.261041D+02 -0.298547D+02
      2  -0.102033D+01 -0.265305D+02 -0.493702D+02  0.136019D+02  0.163825D+02
      3  -0.180401D+01  0.722615D+00 -0.449152D+02  0.125022D+02  0.134723D+02
      4   0.126761D+02 -0.317245D+01 -0.269454D+02  0.199682D+02  0.923449D+01
      5  -0.230970D+01  0.759673D+02 -0.342597D+02  0.995746D+01  0.247838D+02
      6   0.405152D+01  0.316382D+01  0.153338D+01 -0.961487D+00 -0.447483D+00
               211           212           213           214           215 
      1  -0.588089D+02  0.232833D+02  0.135594D+02 -0.559905D+02  0.107607D+02
      2   0.300493D+02 -0.933855D+01 -0.762834D+01  0.309614D+02 -0.658439D+01
      3   0.287595D+02 -0.139447D+02 -0.593104D+01  0.250291D+02 -0.417634D+01
      4   0.309195D+02 -0.183997D+02 -0.141088D+02  0.129274D+02 -0.172844D+02
      5   0.177537D+02 -0.145774D+02 -0.169714D+02  0.386086D+02 -0.127279D+02
      6  -0.276281D+01  0.223390D+01  0.252616D+01 -0.176430D+01  0.286867D+01
               216           217           218           219           220 
      1   0.281356D+02  0.326974D+02 -0.183335D+02 -0.123745D+02 -0.154819D+02
      2  -0.189511D+02 -0.783637D+01 -0.100060D+01  0.396095D+01 -0.212411D+01
      3  -0.918447D+01 -0.248611D+02  0.193341D+02  0.841351D+01  0.176060D+02
      4  -0.121362D+02 -0.395971D+02  0.378294D+02  0.146828D+02  0.354328D+02
      5  -0.236197D+02 -0.183909D+02  0.116919D+02  0.150700D+02  0.114441D+02
      6   0.229550D+01  0.912034D+01 -0.682116D+01 -0.808956D+01 -0.746782D+01
               221           222           223           224           225 
      1   0.995662D+01  0.327574D+01 -0.192761D+02  0.516937D+01  0.756365D+01
      2   0.105831D+02  0.373383D+01  0.649799D+01  0.475108D+01 -0.250862D+01
      3  -0.205397D+02 -0.700957D+01  0.127781D+02 -0.992046D+01 -0.505503D+01
      4  -0.412406D+02 -0.170124D+02  0.231937D+02 -0.277330D+02 -0.209114D+02
      5  -0.157733D+02 -0.126446D+02  0.201213D+02 -0.184021D+02 -0.167981D+02
      6   0.111158D+02  0.930378D+01 -0.103108D+02  0.120668D+02  0.970743D+01
               226           227           228           229           230 
      1   0.289104D+01 -0.569019D+01  0.653685D+01 -0.289628D+01 -0.120432D+01
      2  -0.989311D+00  0.117708D+01 -0.406421D+01 -0.322530D+00  0.312435D+01
      3  -0.190172D+01  0.451311D+01 -0.247264D+01  0.321881D+01 -0.192004D+01
      4  -0.896545D+01  0.995363D+01 -0.470288D+01  0.804649D+01 -0.984133D+01
      5   0.845548D+01 -0.310384D+01  0.117963D+02 -0.177226D+01  0.832769D+01
      6  -0.302852D+01  0.131375D+01 -0.417108D+01  0.199551D+01 -0.576141D+01
               231           232           233           234           235 
      1   0.347565D+01  0.113040D+02  0.562995D+01 -0.438666D+01 -0.554382D+02
      2  -0.402413D+01 -0.650508D+01 -0.667952D+01 -0.463438D+01  0.314979D+02
      3   0.548482D+00 -0.479889D+01  0.104957D+01  0.902105D+01  0.239403D+02
      4   0.865720D+01 -0.996367D+01  0.195866D+02 -0.213265D+02  0.835539D+01
      5  -0.895289D+01  0.160282D+02 -0.187204D+02  0.486517D+02 -0.499349D+01
      6   0.100709D+02 -0.702521D+01  0.136191D+02 -0.258812D+02  0.455923D+01
               236           237           238           239           240 
      1  -0.205837D+02 -0.956475D+01 -0.148840D+02 -0.147640D+02 -0.306511D+01
      2   0.180421D+02  0.537444D+01  0.126238D+02  0.138331D+02  0.316395D+01
      3   0.254161D+01  0.419031D+01  0.226021D+01  0.930891D+00 -0.988393D-01
      4  -0.819403D+01  0.194177D+01  0.773226D+00 -0.253406D+01 -0.181584D+01
      5  -0.629119D+00 -0.250462D+01 -0.656830D+00 -0.253798D+01 -0.287249D+01
      6   0.230305D+01  0.374253D+01  0.133038D+01  0.229243D+01  0.348221D+01
               241           242           243           244           245 
      1  -0.101497D+02 -0.457588D+01 -0.713752D+01  0.125930D+01 -0.572362D+01
      2   0.476042D+01  0.408825D+01  0.362431D+01 -0.575175D+01  0.422881D+01
      3   0.538926D+01  0.487629D+00  0.351321D+01  0.449245D+01  0.149481D+01
      4   0.208614D+01 -0.455962D+01 -0.439802D+01 -0.696868D+01  0.537421D+01
      5   0.691916D+00 -0.532180D+01  0.104729D+01  0.114883D+02 -0.309501D+01
      6   0.232447D+01  0.496309D+01  0.863977D+00 -0.367064D+01  0.121149D+01
               246           247           248           249           250 
      1   0.508614D+01 -0.811743D+01 -0.828134D+00  0.364099D+01  0.528929D+01
      2  -0.548396D+01  0.553390D+01 -0.212218D+01  0.334824D+01 -0.799674D+01
      3   0.397819D+00  0.258353D+01  0.295031D+01 -0.698923D+01  0.270745D+01
      4  -0.267917D+01  0.822179D+01 -0.954322D+01  0.974904D+01 -0.310814D+01
      5   0.124320D+02 -0.441426D+01  0.102469D+02 -0.139878D+02  0.177891D+02
      6  -0.108603D+01  0.310892D+01 -0.585593D+01  0.763402D+01 -0.203059D+01
               251           252           253           254           255 
      1   0.156320D+01 -0.571947D+01 -0.428884D+02 -0.351445D+02 -0.346899D+02
      2   0.524270D+01 -0.152162D+02  0.215194D+02  0.192932D+02  0.127363D+02
      3  -0.680590D+01  0.209357D+02  0.213690D+02  0.158513D+02  0.219536D+02
      4   0.116701D+02 -0.109684D+02 -0.466166D+02 -0.679618D+01 -0.118053D+02
      5  -0.108346D+02  0.359577D+02 -0.417497D+02 -0.795890D+01  0.146823D+01
      6   0.681977D+01 -0.645861D+01 -0.208376D+02  0.217602D+01  0.932541D+01
               256           257           258           259           260 
      1  -0.198092D+02 -0.118446D+01 -0.116328D+01 -0.320409D+02  0.437824D+00
      2   0.200678D+02  0.115330D+02  0.142659D+02  0.127021D+02  0.130073D+02
      3  -0.258518D+00 -0.103485D+02 -0.131026D+02  0.193388D+02 -0.134451D+02
      4   0.137386D+02  0.254445D+02  0.149289D+02 -0.769585D+01  0.970936D+01
      5   0.777549D+00  0.158297D+02 -0.104653D+02  0.468863D+01 -0.171566D+02
      6   0.974721D+01  0.130861D+02 -0.658016D+01  0.762717D+01 -0.139239D+02
               261           262           263           264           265 
      1   0.231870D+02  0.335323D+02 -0.201276D+02 -0.153623D+02 -0.111787D+02
      2  -0.205209D+02 -0.136756D+02  0.639653D+01  0.688978D+01  0.113489D+01
      3  -0.266607D+01 -0.198567D+02  0.137310D+02  0.847248D+01  0.100438D+02
      4  -0.106914D+02 -0.333551D+02  0.275272D+02  0.152940D+02  0.224818D+02
      5   0.601535D+01 -0.209476D+02  0.137139D+02  0.164849D+02  0.968924D+01
      6  -0.411249D+01  0.875600D+01 -0.629135D+01 -0.583914D+01 -0.510965D+01
               266           267           268           269           270 
      1   0.822840D+01  0.394744D+01 -0.256080D+02  0.152172D+02  0.148864D+02
      2   0.308611D+01  0.354249D+00  0.120358D+02 -0.449967D+01 -0.838375D+01
      3  -0.113145D+02 -0.430169D+01  0.135722D+02 -0.107175D+02 -0.650266D+01
      4  -0.292896D+02 -0.119008D+02  0.326317D+02 -0.327481D+02 -0.257608D+02
      5  -0.108132D+02 -0.103881D+02  0.297090D+02 -0.235826D+02 -0.286473D+02
      6   0.755348D+01  0.589526D+01 -0.124525D+02  0.125945D+02  0.131922D+02
               271           272           273           274           275 
      1  -0.128893D+02  0.181479D+02  0.205570D+02  0.821936D+01 -0.154813D+02
      2   0.526929D+01 -0.126297D+02 -0.708255D+01 -0.617343D+01  0.119192D+02
      3   0.762001D+01 -0.551821D+01 -0.134745D+02 -0.204593D+01  0.356211D+01
      4  -0.614013D+00 -0.332924D+01  0.104823D+01  0.137415D+01  0.262278D+01
      5   0.350705D+01 -0.263031D+01 -0.468500D+01  0.186263D+00  0.300069D+01
      6   0.890111D+01 -0.106241D+02 -0.130204D+02 -0.483494D+01  0.112314D+02
               276           277           278           279           280 
      1  -0.111561D+02  0.163932D+02 -0.169247D+02 -0.280893D+02  0.177071D+01
      2   0.667316D+01 -0.584649D+01  0.842681D+01  0.615256D+01  0.135129D+01
      3   0.448289D+01 -0.105467D+02  0.849788D+01  0.219368D+02 -0.312200D+01
      4   0.248744D+01  0.544881D+01  0.742664D+01  0.628218D+01  0.510592D+01
      5   0.556182D+01  0.111366D+01  0.110611D+02  0.155972D+02 -0.144344D+00
      6   0.124310D+02 -0.578268D+01  0.178333D+02  0.228061D+02 -0.880535D+00
               281           282           283           284           285 
      1   0.875941D+01 -0.737555D+00  0.612243D+01 -0.118044D+02  0.479321D+01
      2  -0.723628D+01  0.158609D+01 -0.306787D+01  0.218417D+02 -0.120798D+02
      3  -0.152312D+01 -0.848538D+00 -0.305456D+01 -0.100372D+02  0.728663D+01
      4   0.163094D+01 -0.324276D+00  0.508445D+01  0.148604D+02 -0.831528D+01
      5   0.166166D+01 -0.914781D+00  0.513039D+00 -0.102294D+02  0.101387D+02
      6  -0.529150D-01 -0.277945D+01 -0.481745D+00 -0.699767D+01  0.919234D+01
               286           287           288           289           290 
      1  -0.566057D+01  0.906746D+01 -0.863686D+01  0.790607D+02  0.198489D+02
      2   0.194780D+01 -0.195034D+02  0.125559D+02 -0.359398D+02 -0.270327D+01
      3   0.371276D+01  0.104360D+02 -0.391901D+01 -0.431209D+02 -0.171456D+02
      4  -0.666991D+01 -0.187644D+02  0.707996D+01  0.585993D+02  0.321045D+02
      5  -0.102207D+01  0.967418D+01 -0.179008D+02  0.438452D+02  0.154737D+02
      6  -0.204038D+01  0.803369D+01 -0.130662D+02  0.174165D+02  0.101797D+02
               291           292           293           294           295 
      1   0.180598D+02  0.906693D+01  0.845731D+01  0.171681D+01  0.154244D+02
      2  -0.107036D+02  0.119998D+01  0.101516D+00 -0.477007D+00 -0.104743D+02
      3  -0.735619D+01 -0.102669D+02 -0.855882D+01 -0.123981D+01 -0.495012D+01
      4   0.166786D+02  0.216635D+02  0.142254D+02  0.518699D+01  0.145803D+02
      5   0.217244D+02  0.718250D+01  0.627852D+01  0.504350D+01  0.226927D+02
      6   0.926914D+01  0.620049D+01  0.426883D+01  0.509385D+01  0.877066D+01
               296           297 
      1   0.263968D+01  0.698116D+01
      2  -0.201376D+01 -0.513998D+01
      3  -0.625917D+00 -0.184118D+01
      4   0.774321D+01  0.111074D+02
      5   0.101162D+02  0.144515D+02
      6   0.756398D+01  0.725788D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.703188D+00      0.178732D+01      0.596187D+01
   x         -0.418088D+00     -0.106267D+01     -0.354469D+01
   y         -0.341455D+00     -0.867891D+00     -0.289497D+01
   z          0.450649D+00      0.114543D+01      0.382076D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159858D+03      0.236885D+02      0.263571D+02
   aniso      0.764522D+02      0.113291D+02      0.126053D+02
   xx         0.208368D+03      0.308769D+02      0.343552D+02
   yx         0.931197D+01      0.137989D+01      0.153534D+01
   yy         0.134084D+03      0.198693D+02      0.221075D+02
   zx         0.307555D+01      0.455749D+00      0.507089D+00
   zy        -0.921756D+01     -0.136590D+01     -0.151977D+01
   zz         0.137123D+03      0.203195D+02      0.226084D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.170666D+03      0.252901D+02      0.281391D+02
   aniso      0.850215D+02      0.125989D+02      0.140182D+02
   xx         0.224830D+03      0.333164D+02      0.370695D+02
   yx         0.101445D+02      0.150326D+01      0.167260D+01
   yy         0.142078D+03      0.210537D+02      0.234254D+02
   zx         0.338518D+01      0.501632D+00      0.558141D+00
   zy        -0.962363D+01     -0.142607D+01     -0.158672D+01
   zz         0.145091D+03      0.215003D+02      0.239223D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.10145150         -0.51474578          3.04519026
     6         -2.22361323         -0.63331010          1.81130981
     6          2.33725247         -0.24980902          1.69946998
     6          2.31707738         -0.08354237         -0.92611061
     6          0.00121780         -0.21453402         -2.17250801
     6         -2.22908876         -0.48735371         -0.81904178
     6         -4.64107380         -0.84653986          3.29313845
     6         -5.46928815          1.64045208          4.56382459
     6         -7.77634742          1.18811662          6.23965148
     6         -5.98559281          3.71401549          2.62336802
     6          4.76486309          0.26687338         -2.38791527
     6          5.04419418         -1.88737721         -4.25775175
     8          4.38298990         -1.85290953         -6.43412741
     8          6.09853045         -3.94921689         -3.17663824
     1          0.16590638         -0.64307097          5.08831814
     1          4.12167492         -0.17830936          2.70048146
     1         -0.05703619         -0.12489036         -4.21573445
     1         -4.00960549         -0.58946142         -1.82430782
     1         -4.42117528         -2.28736851          4.75858178
     1         -6.16176577         -1.49240845          2.05032400
     1         -3.90714111          2.26739457          5.76991374
     1         -7.39574952         -0.24564442          7.67450317
     1         -9.38300498          0.54110389          5.11225885
     1         -8.34633183          2.92012780          7.20502054
     1         -6.53411597          5.47142888          3.55430907
     1         -7.52775484          3.16285746          1.36175967
     1         -4.32724537          4.09694941          1.46220334
     1          6.32176010          0.11021833         -1.04635698
     6          4.88428905          2.82315577         -3.73289574
     1          6.12125891         -5.26872864         -4.44944632
     1          4.66025151          4.34113464         -2.35885364
     1          3.38717392          2.97850394         -5.13525120
     1          6.68869274          3.06476906         -4.69998770

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.703188D+00      0.178732D+01      0.596187D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.703188D+00      0.178732D+01      0.596187D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159858D+03      0.236885D+02      0.263571D+02
   aniso      0.764522D+02      0.113291D+02      0.126053D+02
   xx         0.183110D+03      0.271340D+02      0.301907D+02
   yx        -0.588824D+01     -0.872547D+00     -0.970839D+00
   yy         0.126103D+03      0.186866D+02      0.207917D+02
   zx        -0.319070D+02     -0.472813D+01     -0.526076D+01
   zy         0.651298D+00      0.965124D-01      0.107385D+00
   zz         0.170361D+03      0.252450D+02      0.280888D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.170666D+03      0.252901D+02      0.281391D+02
   aniso      0.850215D+02      0.125989D+02      0.140182D+02
   xx         0.196451D+03      0.291111D+02      0.323905D+02
   yx        -0.656587D+01     -0.972961D+00     -0.108257D+01
   yy         0.133712D+03      0.198140D+02      0.220461D+02
   zx        -0.358880D+02     -0.531805D+01     -0.591712D+01
   zy         0.925518D+00      0.137148D+00      0.152597D+00
   zz         0.181836D+03      0.269453D+02      0.299807D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-K07-14\Freq\RB3LYP\Gen\C13H18O2\PIERPA\27-Sep-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
 ions.\\0,1\C,-0.868055,-1.025183,0.932371\C,-1.434107,-0.545371,-0.248
 073\C,0.458923,-0.767507,1.247518\C,1.261147,-0.015622,0.393477\C,0.70
 4012,0.460918,-0.791509\C,-0.622388,0.197168,-1.104326\C,-2.884143,-0.
 797677,-0.56093\C,-3.859347,0.079867,0.248474\C,-5.302322,-0.340915,-0
 .025297\C,-3.656246,1.566161,-0.03922\C,2.7047,0.290879,0.757917\C,3.6
 09551,-0.230826,-0.341871\O,4.016576,0.405594,-1.279125\O,3.899108,-1.
 541087,-0.173315\H,-1.472172,-1.614332,1.612565\H,0.878164,-1.15847,2.
 166794\H,1.314336,1.031987,-1.479725\H,-1.035819,0.574991,-2.031681\H,
 -3.119764,-1.8476,-0.364999\H,-3.064334,-0.629403,-1.626821\H,-3.64862
 8,-0.091406,1.31009\H,-5.462258,-1.394737,0.212636\H,-5.554412,-0.1948
 14,-1.079386\H,-6.00396,0.248931,0.567812\H,-4.340507,2.174366,0.55549
 3\H,-3.848256,1.78418,-1.093903\H,-2.638064,1.883648,0.187153\H,2.9435
 76,-0.269791,1.662471\C,2.939441,1.783706,0.996225\H,4.431862,-1.81406
 2,-0.936873\H,2.272779,2.139344,1.781775\H,2.744635,2.35384,0.089526\H
 ,3.970359,1.973688,1.298054\\Version=ES64L-G16RevA.03\State=1-A\HF=-65
 7.0243456\RMSD=9.559e-09\RMSF=2.727e-06\ZeroPoint=0.2841166\Thermal=0.
 2998202\Dipole=-0.4180876,-0.3414547,0.4506487\DipoleDeriv=-0.1392459,
 0.0538324,-0.042545,0.0558051,-0.0463898,-0.0644646,-0.1160892,-0.0899
 862,-0.0112945,0.3351901,0.0147886,0.0481161,0.0633625,-0.0760726,-0.0
 076934,0.0819587,-0.0139242,-0.0753899,-0.0846377,-0.014698,0.0507945,
 0.0226758,-0.0644868,-0.0819011,0.0321655,-0.0818993,0.0529961,0.27074
 05,0.0874859,0.0141233,0.1188883,-0.0812224,-0.028952,0.1288794,-0.007
 2637,-0.1069209,-0.0928825,0.0263866,-0.026831,0.0483051,-0.0699174,-0
 .0454303,-0.0427503,-0.0525839,-0.0228766,-0.1407346,-0.0005984,0.0480
 407,-0.0511012,-0.0749588,-0.0864174,0.0605888,-0.0658776,0.0527353,-0
 .0253958,-0.0005164,0.0245275,0.0872111,0.1149422,-0.0181754,0.1430533
 ,-0.0008375,0.1629104,0.1636996,0.0058744,-0.0127116,-0.1077085,0.1319
 391,-0.0207169,-0.1210571,-0.017239,0.0664238,-0.0218865,-0.0253952,-0
 .0185594,0.047224,0.082941,-0.0078175,0.051519,-0.0047161,0.13695,0.00
 59901,-0.044395,0.0064771,-0.0128358,-0.0324569,0.015502,0.0371216,-0.
 0168757,0.1306461,-0.1000166,0.0442346,0.1410993,-0.0742602,0.0968942,
 -0.0114961,0.1522723,-0.0143092,0.0567469,0.873963,-0.2507082,-0.41981
 19,-0.4575284,1.4969919,-0.2503666,-0.7443899,-0.3072756,0.8428065,-0.
 656951,-0.0945862,0.2839766,0.041619,-0.7381725,0.1046344,0.4267682,0.
 3212289,-0.7609999,-0.5326343,0.2979623,-0.0240735,0.3924801,-1.185341
 4,0.1068678,0.069211,-0.008297,-0.3132824,-0.0006852,-0.0780886,0.0588
 754,-0.0859607,0.0521623,0.067893,0.0562007,0.0657761,0.021235,0.02276
 93,0.0211376,-0.081593,0.0130768,0.0833211,0.0597285,-0.0766434,0.0631
 32,-0.0349114,0.0423729,-0.0518878,0.0431639,-0.0584218,0.070393,0.050
 9286,0.0525955,0.0544388,0.0447156,0.0265985,0.0079714,-0.0802634,0.00
 85384,0.0799595,0.0611495,-0.0854869,0.0613961,-0.034217,-0.0426356,-0
 .0263882,-0.0120618,-0.0639393,-0.1441876,0.0014289,-0.0021481,0.04618
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 ,-0.00000050,0.00000071,0.00000029,0.00000021,0.00000117\\\@


 LORD, MAN... WERE YE BUT WHYLES WHERE I AM, 
 THE GENTILES YE WAD NE'ER ENVY 'EM.        
 IT'S TRUE, THEY NEEDNA STARVE OR SWEAT,     
 THRO' WINTER'S CAULD OR SIMMER'S HEAT...  
 THEY'VE NAE SAIR WARK TO CRAZE THEIR BANES, 
 AND FILL AULD AGE WITH GRIPS AN' GRANES...  
                                             
 BUT HUMAN BODIES ARE SIC FOOLS              
 FOR A' THEIR COLLEGES AND SCHOOLS,           
 THAT WHEN NAE REAL ILLS PERPLEX THEM,       
 THEY MAK ENOW THEMSELVES TO VEX THEM,       
 AN' AYE THE LESS THEY HAE TO STURT THEM,    
 IN LIKE PROPORTION LESS WILL HURT THEM....  
                                             
                (ROBERT BURNS 'THE TWA DOGS')
 Job cpu time:       0 days 12 hours 59 minutes 22.3 seconds.
 Elapsed time:       0 days  1 hours 37 minutes 27.6 seconds.
 File lengths (MBytes):  RWF=    604 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Mon Sep 27 11:17:44 2021.
